SCHEMBL31737545

SCHEMBL31737545

COC(=O)c1ccc(NCc2ccc3c(c2)n(C)c(=O)n3C)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ GAA P10253 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ ERAP2 Q6P179 3/20 0.44
▸ LNPEP Q9UIQ6 3/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ BRPF1 P55201 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ PTGER4 P35408 3/20 0.43
▸ GLA P06280 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ ATM Q13315 1/20 0.42

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
SCHEMBL31737135 0.89 KDM4E (0.53) POLBKDM4EHSD17B10GAAALDH1A1
SCHEMBL31737848 0.83 MAPT (0.48) POLBALDH1A1MAPTRAB9APTGER4
SCHEMBL31737070 0.78 POLB (0.53) POLBGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL4539438 0.78 ALDH1A1 (0.52) POLBKDM4EHSD17B10GAAALDH1A1
SCHEMBL7539164 0.78 SMN1; SMN2 (0.65) KDM4EHSD17B10GAAALDH1A1MAPT
SCHEMBL14977866 0.77 GAA (0.54) KDM4EHSD17B10GAAALDH1A1MAPT
SCHEMBL4538645 0.77 MAPT (0.54) KDM4EHSD17B10GAAALDH1A1MAPT
SCHEMBL12004538 0.77 GAA (0.54) KDM4EHSD17B10GAAALDH1A1MAPT
SCHEMBL15687652 0.77 CA1 (0.61) KDM4EHSD17B10GAAALDH1A1MAPT
SCHEMBL8037982 0.74 KDM4E (0.54) KDM4EHSD17B10GAAALDH1A1MAPT

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-2025245367-A1 INHIBITING CATECHOL-O-METHYLTRANSFERASE (COMT) PSY THERAPEUTICS, INC. (US) 2025-11-27 — — WO disclosed
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