SCHEMBL31455842

SCHEMBL31455842

CC(C)(C)OC(=O)NCc1ccc(Nc2nc(C(F)(F)F)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.47
NAMPT P43490 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
IGF1R P08069 1/20 0.40
PRMT1 Q99873 1/20 0.39
MAPT P10636 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
XBP1 P17861 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
SYK P43405 1/20 0.37
AR P10275 1/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL2177544 0.88 BRD4 (0.48) BRD4NAMPTL3MBTL1IGF1RPRMT1
SCHEMBL2177561 0.83 SIRT5 (0.50) BRD4NAMPTIGF1RMAPTTDP1
SCHEMBL31420320 0.83 BRD4 (0.49) BRD4NAMPTL3MBTL1IGF1RMAPT
SCHEMBL17109515 0.83 BRD4 (0.49) BRD4NAMPTL3MBTL1IGF1RMAPT
SCHEMBL25384067 0.82 BRD4 (0.43) BRD4NAMPTL3MBTL1IGF1RPRMT1
SCHEMBL30815412 0.82 MAPT (0.57) BRD4NAMPTL3MBTL1IGF1RPRMT1
SCHEMBL27227083 0.82 MAPT (0.57) BRD4NAMPTL3MBTL1IGF1RPRMT1
SCHEMBL31455857 0.82 MAPK1 (0.48) BRD4NAMPTL3MBTL1IGF1RPRMT1
SCHEMBL2190432 0.81 BRD4 (0.45) BRD4NAMPTL3MBTL1IGF1RPRMT1
SCHEMBL16245917 0.81 PIN1 (0.55) BRD4NAMPTL3MBTL1IGF1RPRMT1

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