SCHEMBL31455697

SCHEMBL31455697

COC(=O)c1ccc(C(=O)Nc2ccc(Nc3nc(-c4ccccc4)ccc3[N+](=O)[O-])nc2C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
ABCB1 P08183 5/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 5/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
POLB P06746 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ABCC1 P33527 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL31455786 0.87 HDAC2 (0.38) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL31455550 0.85 MAPT (0.47) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL25386272 0.76 MAPT (0.45) ALDH1A1MAPTLMNAPOLBABCC1
SCHEMBL31455406 0.74 CYP3A4 (0.34) ABCB1MAPTCYP2C9CYP2C19NPSR1
SCHEMBL31454989 0.74 ABCG2 (0.54) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL25384573 0.74 ABCG2 (0.54) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL31455840 0.73 ABCB1 (0.52) ABCB1KMT2AMEN1MAPTPOLB
SCHEMBL31455719 0.73 ABCG2 (0.45) ALDH1A1ABCB1KMT2AMEN1MAPT
SCHEMBL31455452 0.72 ABCG2 (0.39) ALDH1A1ABCB1KMT2AMEN1GAA
SCHEMBL31455924 0.71 HDAC2 (0.41) ALDH1A1KMT2AMEN1MAPTLMNA

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