SCHEMBL31331816

SCHEMBL31331816

N#Cc1ccc(-c2nc3cc(N4CCC[C@H](N)C4)ccc3nc2-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 12/20 0.54
▸ KIT P10721 1/20 0.43
▸ MAOB P27338 1/20 0.41
▸ PIM1 P11309 2/20 0.41
▸ PIM2 Q9P1W9 1/20 0.40
▸ TRPC6 Q9Y210 1/20 0.40
▸ TRPA1 O75762 1/20 0.40
▸ SCN5A Q14524 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ GPR6 P46095 1/20 0.38
▸ USP30 Q70CQ3 2/20 0.38

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
SCHEMBL31331761 0.95 KDM1A (0.49) KDM1AKITMAOBTRPA1SCN5A
SCHEMBL31331935 0.88 KDM1A (0.49) KDM1AKITTRPC6
SCHEMBL31331682 0.88 KDM1A (0.52) KDM1AKIT
SCHEMBL31331857 0.87 KDM1A (0.46) KDM1A
SCHEMBL31331889 0.85 KDM1A (0.52) KDM1A
SCHEMBL31331786 0.82 KDM1A (0.55) KDM1AKIT
SCHEMBL31331989 0.82 KDM1A (0.48) KDM1AKITMAOB
SCHEMBL31331652 0.81 KDM1A (0.48) KDM1AKIT
SCHEMBL31331861 0.79 KDM1A (0.54) KDM1AKIT
SCHEMBL31331740 0.79 KDM1A (0.54) KDM1AKIT

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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