SCHEMBL31457035

SCHEMBL31457035

NCc1cc(F)cc(-c2ncccc2N)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ LOXL2 Q9Y4K0 4/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ CYP17A1 P05093 1/20 0.36
▸ CYP21A2 P08686 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ MAOB P27338 2/20 0.35
▸ DPP4 P27487 1/20 0.33
▸ MAP4K4 O95819 2/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL31456957 0.74 ASIC3 (0.49) TAAR1LOXL2CYP17A1CYP21A2CYP11B1
SCHEMBL26103203 0.73 CNR2 (0.46) CNR2TRPV1
SCHEMBL17588944 0.71 MAP4K4 (0.48) MAP4K4
SCHEMBL2039891 0.70 CYP17A1 (0.67) TAAR1LOXL2CYP17A1CYP21A2CYP11B1
SCHEMBL24459423 0.70 TAAR1 (0.58) TAAR1LOXL2CYP17A1CYP21A2CYP11B1
SCHEMBL31457060 0.69 ADCY10 (0.37) TAAR1LOXL2MAP4K4
SCHEMBL30824220 0.68 ADORA2A (0.49) CNR2
SCHEMBL20600142 0.68 ADORA2A (0.49) CNR2
SCHEMBL27375239 0.68 GRM5 (0.49) TAAR1LOXL2CYP17A1CYP21A2CYP11B1
SCHEMBL1083427 0.68 HSP90AA1 (0.45) CNR2

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
CN-119654324-A Novel compounds as hypoxia inducible factor 1 (HIF-1) inhibitors or Vascular Endothelial Growth Factor (VEGF) inhibitors and pharmaceutical compositions comprising the same 株式会社次代生物科学 2025-03-18 — — CN disclosed
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