SCHEMBL30762583

SCHEMBL30762583

N#Cc1cc(N2CCCCC2)nc2c(Br)cc(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ AR P10275 1/20 0.40
▸ L3MBTL1 Q9Y468 6/20 0.39
▸ HTT P42858 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ KDM4E B2RXH2 7/20 0.37
▸ HSD17B10 Q99714 5/20 0.37
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.37
▸ CASP1 P29466 3/20 0.37
▸ CASP7 P55210 3/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TDP1 Q9NUW8 4/20 0.36
▸ GAA P10253 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ MEN1 O00255 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
SCHEMBL30762411 0.88 HTT (0.54) L3MBTL1HTTATMKDM4EMAPT
SCHEMBL30762620 0.85 KDM4E (0.45) ARL3MBTL1HTTATMKDM4E
SCHEMBL30762373 0.83 KDM4E (0.46) ARL3MBTL1HTTATMKDM4E
SCHEMBL30762585 0.80 CNR1 (0.37) CNR1CNR2ARL3MBTL1HTT
SCHEMBL30762469 0.80 ALDH1A1 (0.50) CNR1CNR2L3MBTL1HTTATM
SCHEMBL23110352 0.79 L3MBTL1 (0.52) CNR1CNR2ARL3MBTL1HTT
SCHEMBL23110353 0.77 L3MBTL1 (0.53) CNR1CNR2L3MBTL1HTTATM
SCHEMBL23110367 0.76 L3MBTL1 (0.52) CNR1CNR2ARL3MBTL1HTT
SCHEMBL30762689 0.76 PTGES (0.36) ALDH1A1
SCHEMBL30762663 0.72 HTT (0.54) L3MBTL1HTTATMKDM4EMAPT

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
WO-2024026423-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS PI3K INHIBITORS BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
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