SCHEMBL31455550

SCHEMBL31455550

COC(=O)c1ccc(C(=O)Nc2ccc(Nc3nc(-c4ccccc4)ccc3[N+](=O)[O-])cn2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
GAA P10253 2/20 0.46
POLB P06746 3/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
PKM P14618 1/20 0.40
TP53 P04637 1/20 0.40
JAK2 O60674 1/20 0.40
AURKA O14965 1/20 0.39
GSK3A P49840 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
SCHEMBL31455924 0.87 HDAC2 (0.41) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL31455697 0.85 ALDH1A1 (0.44) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL31455801 0.82 NPC1 (0.46) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL31455412 0.79 GSK3B (0.43) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL25386272 0.79 MAPT (0.45) MAPTNPC1RAB9APOLBKDM4E
SCHEMBL31454989 0.79 ABCG2 (0.54) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL25384573 0.79 ABCG2 (0.54) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL31420343 0.78 PRMT1 (0.41) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL31455719 0.77 ABCG2 (0.45) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL27226131 0.71 MAPT (0.60) MAPTSMN1; SMN2NPC1RAB9AMEN1

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