SCHEMBL9107313

SCHEMBL9107313

O=[N+]([O-])c1c(S)cccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
TDP1 Q9NUW8 2/20 0.53
HPRT1 P00492 1/20 0.46
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
PTPRC P08575 3/20 0.40
S100A4 P26447 1/20 0.40
CYP3A4 P08684 3/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
SCHEMBL1767571 0.86 ALDH1A1 (0.63) ALDH1A1TDP1HPRT1ABCC8KCNJ11
SCHEMBL3861865 0.84 PTGS2 (0.40) ALDH1A1TDP1HPRT1ABCC8KCNJ11
SCHEMBL6396044 0.81 ALDH1A1 (0.57) ALDH1A1TDP1HPRT1ABCC8KCNJ11
SCHEMBL29236231 0.80 ALDH1A1 (0.59) ALDH1A1TDP1HPRT1ABCC8KCNJ11
SCHEMBL12661145 0.79 ALDH1A1 (0.55) ALDH1A1TDP1HPRT1ABCC8KCNJ11
SCHEMBL1392515 0.79 TDP1 (0.71) ALDH1A1TDP1HPRT1PTPRCS100A4
SCHEMBL9127746 0.79 GPR35 (0.49) ALDH1A1TDP1PTPRCS100A4CYP3A4
SCHEMBL7814268 0.78 ALDH1A1 (0.64) ALDH1A1TDP1HPRT1ABCC8KCNJ11
SCHEMBL4583260 0.78 ALDH1A1 (0.53) ALDH1A1TDP1HPRT1ABCC8KCNJ11
SCHEMBL7695298 0.78 ALDH1A1 (0.53) ALDH1A1TDP1HPRT1ABCC8KCNJ11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110286112-A A kind of Raman microprobe and its preparation method and application 上海交通大学 2019-09-27 CN claimed
CN-110003717-A A kind of steganography material and steganography method based on surface-enhanced Raman nano particle 上海交通大学 2019-07-12 CN claimed
CN-105348220-B A kind of synthetic method of hydrobromic acid Vortioxetine 山东川成医药股份有限公司 2017-08-25 CN claimed
CN-105348220-A Synthetic method for vortioxetine hydrobromide SHANDONG CHUANCHENG PHARMACEUTICAL CO LTD 2016-02-24 CN claimed
CN-101723864-A Method for preparing p-tert-butyl o-nitrothiophenol BEIJING CHARNA CHEMICALS & PHA 2010-06-09 CN claimed
CN-101318920-A Method for preparing para orientation o-aminophenyl-thioether via midbody para orientation o-nitrobenzene-sulfhydrate BEIJING CHARNA CHEMICALS LTD (CN) 2008-12-10 CN claimed
CN-118320835-A Catalyst, preparation method thereof and method for preparing arylamine compound 厦门大学 2024-07-12 CN disclosed
CN-113512048-A Organic compound and organic light-emitting device using same 浙江华显光电科技有限公司 2021-10-19 CN disclosed
CN-110286112-A A kind of Raman microprobe and its preparation method and application 上海交通大学 2019-09-27 CN disclosed
CN-110003717-A A kind of steganography material and steganography method based on surface-enhanced Raman nano particle 上海交通大学 2019-07-12 CN disclosed
CN-106496084-B One kind aromatic compound containing sulfydryl preparation method and its application in terms of anti HIV-1 virus 中国科学技术大学 2019-05-17 CN disclosed
CN-107417702-A A kind of novel electroluminescent organic material and organic luminescent device 长春海谱润斯科技有限公司 2017-12-01 CN disclosed
CN-105348220-B A kind of synthetic method of hydrobromic acid Vortioxetine 山东川成医药股份有限公司 2017-08-25 CN disclosed
US-9186630-B2 Perforated membranes UNIVERSITÄT BIELEFELD (DE) 2015-11-17 US disclosed
CN-102850156-A Method for synthesizing o-amino diaryl ether and o-amino diaryl sulfur ether UNIV NANJING NORMAL 2013-01-02 CN disclosed
US-20120138535-A1 PERFORATED MEMBRANES UNIVERSITÄT BIELEFELD (DE) 2012-06-07 US disclosed
CN-101318920-A Method for preparing para orientation o-aminophenyl-thioether via midbody para orientation o-nitrobenzene-sulfhydrate BEIJING CHARNA CHEMICALS LTD (CN) 2008-12-10 CN disclosed
CN-101012174-A Halogenating agents MITSUI CHEMICALS INC (JP) 2007-08-08 CN disclosed
CN-1040751-C Process for preparation benzothiazepine derivatives SHIONOGI & CO (JP) 1998-11-18 CN disclosed
CN-1096782-A The preparation method of benzothia azatropy lidene derivative SHIONOGI & CO (JP) 1994-12-28 CN disclosed