SCHEMBL30762585

SCHEMBL30762585

CC(O)c1cc(Cl)cc2c(C#N)cc(N3CCCCC3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ KDM4E B2RXH2 8/20 0.36
▸ L3MBTL1 Q9Y468 6/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ CASP1 P29466 6/20 0.36
▸ CASP7 P55210 6/20 0.36
▸ ALOX15 P16050 5/20 0.36
▸ HSD17B10 Q99714 5/20 0.36
▸ MAPT P10636 4/20 0.36
▸ TSHR P16473 3/20 0.36
▸ USP2 O75604 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TDP1 Q9NUW8 4/20 0.36
▸ GAA P10253 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ AR P10275 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33

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
SCHEMBL30762530 0.89 HTT (0.49) L3MBTL1ALDH1A1MAPTHTTATM
SCHEMBL30762614 0.87 KDM4E (0.42) KDM4EL3MBTL1ALDH1A1CASP1CASP7
SCHEMBL30762513 0.86 KDM4E (0.43) KDM4EL3MBTL1ALDH1A1CASP1CASP7
SCHEMBL30762375 0.80 HTT (0.49) L3MBTL1MAPTHTTATMMEN1
SCHEMBL30762583 0.80 CNR1 (0.40) CNR1CNR2KDM4EL3MBTL1ALDH1A1
SCHEMBL30762469 0.80 ALDH1A1 (0.50) CNR1CNR2KDM4EL3MBTL1ALDH1A1
SCHEMBL30762415 0.79 AKT1 (0.56) —
SCHEMBL30762456 0.79 AKT1 (0.56) —
SCHEMBL30762591 0.79 AKT1 (0.56) —
SCHEMBL30762399 0.76 HTT (0.50) L3MBTL1ALDH1A1CASP1CASP7ALOX15

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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