SCHEMBL5717162

SCHEMBL5717162

O=[N+]([O-])c1cccc(COF)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
LMNA P02545 1/20 0.55
MAOB P27338 4/20 0.54
MAOA P21397 1/20 0.54
ALDH1A1 P00352 3/20 0.52
ALOX15 P16050 1/20 0.52
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
RAB9A P51151 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
F2 P00734 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL1767329 0.85 TSHR (0.65) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL791926 0.84 TSHR (0.62) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL402251 0.82 IDO1 (0.62) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL9628070 0.82 TSHR (0.66) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL4798585 0.82 TSHR (0.61) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL20337575 0.82 TSHR (0.61) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL3705262 0.81 TSHR (0.56) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL28008405 0.81 TSHR (0.59) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL7861196 0.81 TSHR (0.59) TSHRLMNAMAOBMAOAALDH1A1
Hydrochloric Acid SCHEMBL5529280 0.81 IDO1 (0.64) TSHRLMNAMAOBMAOAALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110381854-A METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS 考恩特兰有限公司 2019-10-25 CN claimed
CN-110192294-A LITHIUM ELECTRODE AND LITHIUM SECONDARY BATTERY COMPRISING SAME 株式会社LG化学 2019-08-30 CN claimed
CN-110381854-A METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS 考恩特兰有限公司 2019-10-25 CN disclosed
CN-110192294-A LITHIUM ELECTRODE AND LITHIUM SECONDARY BATTERY COMPRISING SAME 株式会社LG化学 2019-08-30 CN disclosed
CN-107635989-A Benzimidizole derivatives as bromine domain inhibitor 葛兰素史克知识产权开发有限公司 2018-01-26 CN disclosed
CN-101678019-B Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2016-03-30 CN disclosed
CN-102827124-B Coumarin derivatives and pharmaceutical composition thereof and purposes BEIJING HANMEI PHARMACEUTICAL CO., LTD. (CN) 2015-10-21 CN disclosed
CN-1863789-A Substituted isoquinolinones PORTOLA PHARM INC (US) 2006-11-15 CN disclosed
EP-1663988-A1 BENZYL-BENZIMIDAZOLYL DERIVATIVES MERCK PATENT GmbH (DE) 2006-06-07 EP disclosed
WO-2005028448-A1 BENZYL-BENZIMIDAZOLYL DERIVATIVES MERCK PATENT GMBH (DE) 2005-03-31 WO disclosed