SCHEMBL31456957

SCHEMBL31456957

NCc1cc(F)cc(-c2cc(N)ccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ASIC3 Q9UHC3 3/20 0.49
▸ LOXL2 Q9Y4K0 6/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.37
▸ CYP17A1 P05093 1/20 0.36
▸ CYP21A2 P08686 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ MAP4K4 O95819 4/20 0.35
▸ LOX P28300 2/20 0.35
▸ LOXL3 P58215 1/20 0.35
▸ LDHA P00338 1/20 0.35
▸ ROCK1 Q13464 1/20 0.34

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
SCHEMBL30437053 0.74 ASIC3 (0.66) ASIC3MAP4K4
SCHEMBL21055972 0.74 ASIC3 (0.66) ASIC3MAP4K4
SCHEMBL31457035 0.74 TAAR1 (0.39) LOXL2TAAR1CYP17A1CYP21A2CYP11B1
SCHEMBL2039891 0.71 CYP17A1 (0.67) LOXL2TAAR1CYP17A1CYP21A2CYP11B1
SCHEMBL30337333 0.71 ASIC3 (0.79) ASIC3LOXL2MAP4K4
SCHEMBL18049349 0.70 LOXL2 (0.62) LOXL2TAAR1LOXLOXL3
SCHEMBL314105 0.69 ASIC3 (0.67) ASIC3
SCHEMBL14303459 0.68 LOXL2 (0.64) ASIC3LOXL2CYP17A1CYP11B1LOX
SCHEMBL19072733 0.68 GRM5 (0.41) ASIC3
SCHEMBL27675974 0.68 ASIC3 (0.73) ASIC3LOXL2CYP11B1

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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