SCHEMBL31549593

SCHEMBL31549593

Cc1cc(C2CC2)cc2ccn(C(=O)O)c12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TFPI2 P48307 4/20 0.36
NOTUM Q6P988 1/20 0.34
DGAT1 O75907 2/20 0.33
SOAT2 O75908 1/20 0.33
SCD O00767 1/20 0.32
SMURF2 Q9HAU4 1/20 0.32
SMURF1 Q9HCE7 1/20 0.32
KRAS P01116 2/20 0.31
SOS1 Q07889 2/20 0.31
KDM4E B2RXH2 1/20 0.31
SSTR4 P31391 1/20 0.30
QDPR P09417 1/20 0.30

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
SCHEMBL31549585 0.76 KDM4E (0.35) TFPI2NOTUMKDM4E
SCHEMBL30988629 0.76 CYP3A4 (0.38) TFPI2NOTUMKDM4E
SCHEMBL21625233 0.76 CYP3A4 (0.38) TFPI2NOTUMKDM4E
SCHEMBL16401098 0.73 KMT2A (0.40) TFPI2KDM4E
SCHEMBL29792740 0.73 KMT2A (0.40) TFPI2KDM4E
SCHEMBL30988676 0.70 THRA (0.35) TFPI2KDM4E
SCHEMBL4048895 0.69 NOTUM (0.42) NOTUMKDM4E
SCHEMBL31668439 0.69 L3MBTL1 (0.43) KDM4E
SCHEMBL16057016 0.69 MEN1 (0.31) KDM4E
SCHEMBL30988642 0.69 PPARD (0.39)

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-2025068951-A1 COMPLEMENT FACTOR B INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2025-04-03 WO disclosed