SCHEMBL31455786

SCHEMBL31455786

COC(=O)c1ccc(C(=O)Nc2ccc(Nc3nc(-c4ccccc4)ccc3N)nc2C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC3 O15379 1/20 0.38
ADORA3 P0DMS8 4/20 0.38
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 4/20 0.37
GAA P10253 3/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
TP53 P04637 3/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL31455697 0.87 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL31455924 0.83 HDAC2 (0.41) HDAC2ADORA3ALDH1A1MEN1KMT2A
SCHEMBL3647967 0.73 ADORA3 (0.52) HDAC2HDAC1HDAC3ADORA3ALDH1A1
SCHEMBL31455487 0.73 HDAC1 (0.36) HDAC2HDAC1HDAC3ADORA3
SCHEMBL31455550 0.72 MAPT (0.47) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL25385310 0.71 ABCG2 (0.61) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL31455169 0.71 ABCG2 (0.61) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL31455813 0.70 HDAC2 (0.52) HDAC2HDAC1HDAC3
SCHEMBL31455225 0.70 NPC1 (0.44) HDAC1ALDH1A1MEN1KMT2AHPGD
SCHEMBL31420349 0.69 ADORA3 (0.39) HDAC2HDAC1HDAC3ADORA3ALDH1A1

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