SCHEMBL31737135

SCHEMBL31737135

Cn1c(=O)n(C)c2cc(CNc3ccc(C(=O)O)cc3N)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.53
▸ ALDH1A1 P00352 6/20 0.53
▸ GAA P10253 6/20 0.53
▸ MAPT P10636 6/20 0.53
▸ THRB P10828 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ GFER P55789 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ PLEC Q15149 1/20 0.53
▸ PTGER4 P35408 1/20 0.48
▸ HSD17B10 Q99714 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ BRPF1 P55201 1/20 0.46
▸ RAB9A P51151 2/20 0.45
▸ POLB P06746 2/20 0.44
▸ GLA P06280 2/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RCE1 Q9Y256 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL31737545 0.89 POLB (0.48) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL31737070 0.80 POLB (0.53) ALDH1A1GAAMAPTTHRBSMN1; SMN2
SCHEMBL30535169 0.76 GAA (0.65) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL7993941 0.76 GAA (0.65) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL1422842 0.75 SMN1; SMN2 (0.71) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL21290296 0.72 GAA (0.43) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL31737848 0.72 MAPT (0.48) ALDH1A1MAPTPTGER4RAB9APOLB
SCHEMBL32685198 0.72 POLB (0.55) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL1731245 0.71 GAA (1.00) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL2687869 0.69 GAA (0.77) KDM4EALDH1A1GAAMAPTTHRB

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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