SCHEMBL31455801

SCHEMBL31455801

COC(=O)c1ccc(C(=O)Nc2ccc(Nc3nc(-c4ccc(F)cc4)ccc3[N+](=O)[O-])cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
ATM Q13315 1/20 0.46
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
PTPN11 Q06124 1/20 0.45
MAPT P10636 5/20 0.43
MAPK1 P28482 4/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
RECQL P46063 1/20 0.42
ABL1 P00519 2/20 0.40
KDR P35968 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 2/20 0.39
RXFP1 Q9HBX9 1/20 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
SCHEMBL27226100 0.88 KMT2A (0.50) NPC1RAB9AATMMAPTMAPK1
SCHEMBL31455550 0.82 MAPT (0.47) NPC1RAB9AMAPTMAPK1POLB
SCHEMBL31455292 0.82 PRMT1 (0.41) NPC1RAB9APTPN1PTPN6PTPN11
SCHEMBL31455818 0.82 PRMT1 (0.41) NPC1RAB9APTPN1PTPN6PTPN11
SCHEMBL27226936 0.81 MAPT (0.49) NPC1RAB9AMAPTMAPK1POLB
SCHEMBL31455494 0.81 HDAC1 (0.44) NPC1RAB9APTPN1MAPTKMT2A
SCHEMBL27226131 0.80 MAPT (0.60) NPC1RAB9AMAPTMAPK1POLB
SCHEMBL25384573 0.78 ABCG2 (0.54) NPC1RAB9AMAPTMAPK1POLB
SCHEMBL31454989 0.78 ABCG2 (0.54) NPC1RAB9AMAPTMAPK1POLB
SCHEMBL27227362 0.77 MEN1 (0.47) NPC1RAB9AMAPTMAPK1POLB

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