SCHEMBL31455899

SCHEMBL31455899

COC(=O)c1ccc(C(C)Br)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
MET P08581 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DPP4 P27487 2/20 0.39

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
SCHEMBL14893204 0.89 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL27856679 0.87 ALDH1A1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL7220810 0.87 MAPT (0.47) CA12CA1CA2CA7CA9
SCHEMBL1498779 0.87 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL31455721 0.85 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL28758212 0.85 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL17524485 0.84 DPP4 (0.45) CA12CA1CA2CA7CA9
SCHEMBL29893863 0.84 DPP4 (0.45) CA12CA1CA2CA7CA9
SCHEMBL18758435 0.84 DPP4 (0.45) CA12CA1CA2CA7CA9
SCHEMBL16959892 0.84 CA12 (0.41) CA12CA1CA2CA7CA9

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-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed