SCHEMBL31233902

SCHEMBL31233902

S=C=Nc1c(Cl)ccc2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ CYP3A4 P08684 1/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HSP90AA1 P07900 2/20 0.39
▸ BLM P54132 2/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ APLNR P35414 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ METAP2 P50579 1/20 0.37
▸ METAP1 P53582 1/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 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
SCHEMBL26121106 1.00 MAPT (0.47) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL31233897 0.81 KDM4E (0.47) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL26124342 0.81 KDM4E (0.47) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL26121064 0.73 CYP1A2 (0.52) MAPTCYP3A4MEN1KMT2ALMNA
SCHEMBL4726688 0.71 ALDH1A1 (0.55) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL14323414 0.71 MAPT (0.62) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL6297258 0.71 APLNR (0.44) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL8692398 0.69 NPC1 (0.41) MAPTKDM4EHSP90AA1APLNRBRD4
SCHEMBL894400 0.68 GABRA1 (0.54) MAPTCYP3A4MEN1KMT2ALMNA
SCHEMBL23022292 0.68 MAPT (0.58) MAPTKDM4ECYP3A4MEN1KMT2A

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-118946553-A SARM1 inhibitor compound, pharmaceutical composition comprising the same, and preparation method and use thereof 深圳众格生物科技有限公司 2024-11-12 — — CN disclosed
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