SCHEMBL31331761

SCHEMBL31331761

N#Cc1ccc(-c2nc3cc(N4CC[C@H](N)C4)ccc3nc2-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 8/20 0.49
▸ KIT P10721 3/20 0.46
▸ MAOB P27338 1/20 0.42
▸ TRPA1 O75762 1/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ HRH2 P25021 2/20 0.40
▸ HRH1 P35367 2/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40
▸ ABL1 P00519 3/20 0.40
▸ GPR6 P46095 1/20 0.39
▸ SSTR2 P30874 1/20 0.39
▸ MCHR1 Q99705 1/20 0.37

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
SCHEMBL31331816 0.95 KDM1A (0.54) KDM1AKITMAOBTRPA1SCN5A
SCHEMBL31331989 0.88 KDM1A (0.48) KDM1AKITMAOBSSTR2
SCHEMBL31331786 0.88 KDM1A (0.55) KDM1AKITHRH2HRH1HRH3
SCHEMBL31331652 0.86 KDM1A (0.48) KDM1AKITSSTR2
SCHEMBL31331861 0.84 KDM1A (0.54) KDM1AKITSSTR2
SCHEMBL31331740 0.84 KDM1A (0.54) KDM1AKITSSTR2
SCHEMBL31331682 0.82 KDM1A (0.52) KDM1AKIT
SCHEMBL31331935 0.82 KDM1A (0.49) KDM1AKIT
SCHEMBL31331857 0.81 KDM1A (0.46) KDM1ASSTR2
SCHEMBL31331889 0.79 KDM1A (0.52) KDM1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119285613-A Substituted quinoxaline and quinazolinone compounds and uses thereof 河南中医药大学 2025-01-10 — — CN claimed
CN-119285613-A Substituted quinoxaline and quinazolinone compounds and uses thereof 河南中医药大学 2025-01-10 — — CN disclosed
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