SCHEMBL31474258

SCHEMBL31474258

COC(=O)C(C#N)Cc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.48
NOS3 P29474 3/20 0.48
NOS1 P29475 3/20 0.48
TSHR P16473 1/20 0.47
CA12 O43570 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
MAPK1 P28482 1/20 0.43
ANPEP P15144 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
EPHX2 P34913 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL11351977 0.86 PPARG (0.48) KMT2AMEN1GAACTSSCTSK
SCHEMBL28384249 0.86 ATM (0.46) CTSKMAPK1ANPEPESR1ESR2
SCHEMBL433224 0.86 ESR1 (0.58) TSHRKMT2AMEN1CTSSCTSK
SCHEMBL12321430 0.84 CTSC (0.49) NOS2KMT2AMAPK1ANPEPESR1
SCHEMBL11925791 0.84 NLRP3 (0.47) MAPK1ANPEPESR1ESR2
SCHEMBL10523997 0.84 ANPEP (0.57) KMT2AMEN1CTSSCTSKANPEP
SCHEMBL9788997 0.83 TAS1R3 (0.46) GAAMAPK1ANPEPESR1ESR2
SCHEMBL10536462 0.82 ALDH1A1 (0.47) TSHRKMT2AMEN1GAAMAPK1
SCHEMBL21763387 0.82 ANPEP (0.52) CTSSCTSKANPEPPPARG
SCHEMBL31323946 0.80 CPA1 (0.47) KMT2ACTSSCTSKPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025060978-A1 TRICYCLIC PYRIDINE COMPOUND ACTING AS SARM1 ENZYME ACTIVITY INHIBITOR, AND USE THEREOF 科辉智药(深圳)新药研究中心有限公司 2025-03-27 WO disclosed