SCHEMBL31366067

SCHEMBL31366067

CN(C)c1ccc2ccc(O)cc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.57
▸ APP P05067 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HTT P42858 1/20 0.43
▸ MCL1 Q07820 1/20 0.42
▸ TERT O14746 1/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.40
▸ ESR2 Q92731 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ENPP2 Q13822 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36

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
SCHEMBL21864963 0.86 NCF1 (0.55) NCF1APPALDH1A1HTTMCL1
SCHEMBL23229346 0.78 NCF1 (0.59) NCF1APPALDH1A1MEN1KMT2A
SCHEMBL4263734 0.72 NCF1 (1.00) NCF1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL31650826 0.72 NCF1 (1.00) NCF1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL29946313 0.72 NCF1 (1.00) NCF1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1562712 0.72 CYP1A2 (0.61) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL18571601 0.72 ALDH1A1 (0.42) APPALDH1A1MEN1CASP1CASP7
SCHEMBL5958458 0.72 ALDH1A1 (0.54) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL31296110 0.71 MEN1 (0.52) APPALDH1A1MEN1CASP1CASP7
SCHEMBL6240232 0.71 MEN1 (0.52) APPALDH1A1MEN1CASP1CASP7

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-119661537-A Nucleoside compound, preparation method thereof, composition thereof and application of nucleoside compound in medicine 中国科学院上海药物研究所 2025-03-21 — — CN disclosed
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