SCHEMBL31380322

SCHEMBL31380322

c1ccc(-c2ccc(CNC3CCCc4cccnc43)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.51
HDAC6 Q9UBN7 6/20 0.51
CXCR4 P61073 11/20 0.47
HDAC8 Q9BY41 4/20 0.39
HDAC5 Q9UQL6 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
GBA1 P04062 1/20 0.35

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
SCHEMBL30983240 1.00 HDAC1 (0.51) HDAC1HDAC6CXCR4HDAC8HDAC5
SCHEMBL30983280 0.89 HDAC1 (0.52) HDAC1HDAC6CXCR4HDAC8HDAC5
SCHEMBL30983293 0.86 HDAC1 (0.51) HDAC1HDAC6CXCR4HDAC8HDAC5
SCHEMBL31380388 0.85 HDAC1 (0.50) HDAC1HDAC6CXCR4HDAC8HDAC5
SCHEMBL30983310 0.85 HDAC1 (0.48) HDAC1HDAC6CXCR4HDAC8HDAC5
SCHEMBL30983220 0.85 HDAC1 (0.50) HDAC1HDAC6CXCR4HDAC8HDAC5
SCHEMBL30983279 0.84 HDAC1 (0.49) HDAC1HDAC6CXCR4HDAC8HDAC5
SCHEMBL31324080 0.84 HDAC1 (0.55) HDAC1HDAC6CXCR4HDAC8CYP3A4
SCHEMBL31380390 0.84 HDAC1 (0.55) HDAC1HDAC6CXCR4HDAC8CYP3A4
SCHEMBL31380339 0.84 HDAC1 (0.48) HDAC1HDAC6CXCR4CYP3A4CYP2D6

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
WO-2025068985-A1 1-(1-OXO-1,2-DIHYDROPHTHALAZIN-6-YL)CYCLOALKYL-1-CARBOXAMIDE DERIVATIVES AS MTA-COOPERATIVE INHIBITORS OF PRMT5 BEIGENE SWITZERLAND GMBH (CH) 2025-04-03 WO disclosed
CN-119707931-A Intermediate and synthesis method of 1- (1-oxo-1, 2-dihydro-phthalazin-6-yl) cycloalkyl-1-carboxamide derivatives as MTA synergistic inhibitors of PRMT5 百济神州(北京)生物科技有限公司 2025-03-28 CN disclosed