SCHEMBL31331786

SCHEMBL31331786

COc1ccc(-c2nc3ccc(N4CC[C@H](N)C4)cc3nc2-c2ccc(C#N)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 10/20 0.55
▸ KIT P10721 2/20 0.45
▸ SUV39H2 Q9H5I1 2/20 0.43
▸ HRH2 P25021 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CASP1 P29466 3/20 0.41
▸ CASP7 P55210 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL31331935 0.94 KDM1A (0.49) KDM1AKITKDM4EMEN1ALDH1A1
SCHEMBL31331861 0.89 KDM1A (0.54) KDM1AKITSUV39H2
SCHEMBL31331740 0.89 KDM1A (0.54) KDM1AKITSUV39H2
SCHEMBL31331761 0.88 KDM1A (0.49) KDM1AKITHRH2HRH1HRH3
SCHEMBL31331652 0.87 KDM1A (0.48) KDM1AKITKDM4ETP53
SCHEMBL31331727 0.87 KDM1A (0.44) KDM1AKITKDM4EALDH1A1CASP1
SCHEMBL31331989 0.84 KDM1A (0.48) KDM1AKIT
SCHEMBL31331889 0.83 KDM1A (0.52) KDM1A
SCHEMBL31331816 0.82 KDM1A (0.54) KDM1AKIT
SCHEMBL31331857 0.81 KDM1A (0.46) KDM1AKDM4ETP53

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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