SCHEMBL4753072

SCHEMBL4753072

C#COc1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.37
SOS1 Q07889 1/20 0.34
HSPB1 P04792 1/20 0.34
MAOB P27338 5/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
APP P05067 1/20 0.33
ACHE P22303 1/20 0.33
PYCR1 P32322 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAOA P21397 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL9365777 0.93 SOS1 (0.44) SOS1HSPB1ALDH1A1LMNAL3MBTL1
SCHEMBL10904311 0.74 MMP14 (0.43) MAOBALDH1A1GAAMEN1KMT2A
SCHEMBL15469444 0.74 KDM4E (0.38) NFE2L2SOS1HSPB1MAOBCA1
SCHEMBL13905968 0.74 CYP2A6 (0.42) MAOBCA1CA2CA9ALDH1A1
SCHEMBL4753435 0.74 CA1 (0.58) CA1CA2CA7CA9ALDH1A1
SCHEMBL1417001 0.74 LMNA (0.42) MAOBCA1CA2CA9ALDH1A1
SCHEMBL5848380 0.74 NFE2L2 (0.37) NFE2L2SOS1HSPB1MAOBCA1
SCHEMBL95869 0.74 SOS1 (0.39) NFE2L2SOS1HSPB1MAOBCA1
SCHEMBL169455 0.72
SCHEMBL14632031 0.72 NFE2L2 (0.39) NFE2L2MAOBACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616077-B1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES UNIV LEUVEN KATH (BE) 2016-08-31 EP claimed
EP-2405973-B1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS UNIV LEUVEN KATH (BE) 2015-04-22 EP claimed
EP-2178373-B1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN INC (US) 2013-01-23 EP claimed
EP-1603880-B1 QUINOLINONE/BENZOXAZINONE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-05-07 EP claimed
EP-1506192-B1 SUBSTITUTED PYRROLINE KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-02-27 EP claimed
EP-0295880-B1 Substituted cyclic ketones, substituted cyclic enones, and process for producing the same NISSAN CHEMICAL IND LTD (JP) 1999-01-07 EP claimed
EP-0159584-B1 N-(AZOLYLCARBAMOYL)-HYDROXYL AMINES AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1989-01-18 EP claimed
EP-0013607-B1 SUBSTITUTED BICYCLO (2,2,1)HEPTANES AND BICYCLO (2,2,1) HEPT-2-ENES AND THEIR PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1983-03-23 EP claimed
WO-2024222614-A1 HETEROCYCLIC GSPT1 DEGRADATION AGENT 北京诺诚健华医药科技有限公司 2024-10-31 WO disclosed
EP-0520882-B1 2-Aminopyrimidin-4-carboxamide derivatives, their preparation and their application in therapy SYNTHELABO (FR) 1995-07-12 EP disclosed
EP-0520882-A1 2-Aminopyrimidin-4-carboxamide derivatives, their preparation and their application in therapy SYNTHELABO (FR) 1992-12-30 EP disclosed