SCHEMBL31331727

SCHEMBL31331727

COc1ccc(-c2nc3ccc(N4CCNC(N)C4)cc3nc2-c2ccc(C#N)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.44
▸ ALDH1A1 P00352 8/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ UBE2N P61088 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KIT P10721 3/20 0.40
▸ USP2 O75604 5/20 0.40
▸ CYP1A2 P05177 5/20 0.40
▸ CASP1 P29466 5/20 0.40
▸ HIF1A Q16665 5/20 0.40
▸ TSHR P16473 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ MAPKAPK2 P49137 1/20 0.39
▸ CASP7 P55210 4/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 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
SCHEMBL31331766 0.89 KDM1A (0.46) KDM1AALDH1A1KDM4EGAAKIT
SCHEMBL31331734 0.87 KDM4E (0.41) KDM1AALDH1A1KDM4EKITUSP2
SCHEMBL31331786 0.87 KDM1A (0.55) KDM1AALDH1A1KDM4EGAAKMT2A
SCHEMBL31331935 0.85 KDM1A (0.49) KDM1AALDH1A1KDM4EKMT2AKIT
SCHEMBL31331663 0.82 SUV39H2 (0.38) KDM1AALDH1A1KDM4EPOLBGAA
SCHEMBL31331740 0.75 KDM1A (0.54) KDM1AKIT
SCHEMBL31331861 0.75 KDM1A (0.54) KDM1AKIT
SCHEMBL31331761 0.75 KDM1A (0.49) KDM1AKIT
SCHEMBL1458694 0.74 ALDH1A1 (0.55) ALDH1A1KDM4EPOLBKMT2ACYP3A4
SCHEMBL31331889 0.74 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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