SCHEMBL3701096

SCHEMBL3701096

O=[N+]([O-])SCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
GSTP1 P09211 1/20 0.41
GSTM2 P28161 1/20 0.41
CYP2C19 P33261 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 2/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CPA1 P15085 3/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Phosphoric Acid SCHEMBL28311900 0.89 SMN1; SMN2 (0.44) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL28113235 0.80 GSTP1 (0.42) ALDH1A1LMNAGSTP1GSTM2CYP2C19
SCHEMBL28852017 0.80 MEN1 (0.44) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL5526312 0.72 MEN1 (0.41) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL12616458 0.70 FBP1 (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7992252 0.70 IDO1 (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL5376333 0.69 MAPT (0.63) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL11192730 0.69 MEN1 (0.42) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL5376331 0.69 MEN1 (0.65) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL73253 0.69 CPA1 (0.47) ALDH1A1LMNACYP2C19CYP1A2CES2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104725628-B A kind of single functionalization branched polyethylene glycol, preparation method and its bio-related substance containing degradable group 厦门赛诺邦格生物科技股份有限公司 2018-04-17 CN claimed
CN-104530417-B A kind of multiple functionalized H types polyethyleneglycol derivative and preparation method thereof 厦门赛诺邦格生物科技股份有限公司 2017-09-08 CN claimed
CN-104530415-B A kind of different functionalization Y types polyethyleneglycol derivative, preparation method and its bio-related substance 厦门赛诺邦格生物科技股份有限公司 2017-09-01 CN claimed
CN-104109235-B A kind of single functionalized poly (ethylene glycol), preparation method and its bio-related substance with nitrogen-atoms branch centers 厦门赛诺邦格生物科技股份有限公司 2017-07-18 CN claimed
CN-104725628-A Single functional branched polyethylene glycol containing degradable radical, preparation method and biorelevant substance of single functional branched polyethylene glycol XIAMEN SINOPEG BIOTECH CO LTD 2015-06-24 CN claimed
CN-104530415-A Hetero-functionalized Y-type polyethylene glycol derivative, preparation method and biologically related substance thereof XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN claimed
CN-104530417-A Multifunctional H-type polyethylene glycol derivative and preparation method thereof XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN claimed
CN-104109235-A Mono-functionalized polyethylene glycol with nitrogen atom branched center and its preparation method and biologically-relevant matter XIAMEN SINOPEG BIOTECH CO LTD 2014-10-22 CN claimed
CN-114806275-A Printing ink, display panel and preparation method thereof 深圳市华星光电半导体显示技术有限公司 2022-07-29 CN disclosed
WO-2022107692-A1 SEALING MATERIAL FOR ORGANIC EL DISPLAY ELEMENT, CURED PRODUCT OF SAID SEALING MATERIAL, AND ORGANIC EL DISPLAY DEVICE 三井化学株式会社 2022-05-27 WO disclosed
CN-106967213-B Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2019-11-05 CN disclosed
CN-107698474-B The synthetic method of prothetic group linking arm, its synthetic method and two ubiquitin 中国科学技术大学 2019-10-22 CN disclosed
CN-110119068-A Positive type photosensitive organic compound, insulating film and image display device 东友精细化工有限公司 2019-08-13 CN disclosed
CN-104119332-B Benzoheterocyclic compounds and its preparation method and application as kinases inhibitor 上海科州药物研发有限公司 2019-03-29 CN disclosed
US-4690923-A ANTITHROMBOTICS KARL THOMAE GMBH (DE) 1987-09-01 US disclosed
EP-0185762-A4 CELL-DELIVERY AGENT. DANA FARBER CANCER INST INC (US) 1986-12-01 EP disclosed
US-4625014-A Cell-delivery agent DANA-FARBER CANCER INSTITUTE, INC. (US) 1986-11-25 US disclosed
EP-0185762-A1 CELL-DELIVERY AGENT. DANA FARBER CANCER INST INC (US) 1986-07-02 EP disclosed
WO-1986000527-A1 CELL-DELIVERY AGENT DANA-FARBER CANCER INSTITUTE, INC. (US) 1986-01-30 WO disclosed
US-4518596-A Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines DR. KARL THOMAE GMBH (DE) 1985-05-21 US disclosed