SCHEMBL31455840

SCHEMBL31455840

COC(=O)c1ccc(C(=O)Nc2ccc(Nc3cc(-c4ccccc4)ccc3[N+](=O)[O-])c(C)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 8/20 0.52
ABCC1 P33527 6/20 0.50
KMT2A Q03164 2/20 0.45
GRM5 P41594 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
PTPN1 P18031 1/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
MYC P01106 1/20 0.43
MAX P61244 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL31455813 0.85 HDAC2 (0.52) GRM5PTPN1
SCHEMBL31455065 0.81 ABCB1 (0.44) ABCB1ABCC1
SCHEMBL31455497 0.75 ABCB1 (0.43) ABCB1ABCC1MAPTMYCSMN1; SMN2
SCHEMBL1066697 0.74 ABCB1 (0.60) ABCB1ABCC1KMT2APOLBMAPT
SCHEMBL31455697 0.73 ALDH1A1 (0.44) ABCB1ABCC1KMT2AMEN1POLB
SCHEMBL31455538 0.72 ABL1 (0.47) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL2414416 0.71 PHGDH (0.70) KMT2AMEN1POLBMAPTMAPK1
SCHEMBL31455726 0.69 MAPT (0.49) ABCB1ABCC1KMT2AMEN1POLB
SCHEMBL31455534 0.69 MEN1 (0.47) KMT2AMEN1POLBMAPTMAPK1
SCHEMBL31455675 0.69 MAPT (0.54) KMT2AMEN1POLBMAPTMAPK1

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