SCHEMBL31380339

SCHEMBL31380339

c1ccc(Oc2ccc(CNC3CCCc4cccnc43)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
CXCR4 P61073 7/20 0.45
KDM4E B2RXH2 1/20 0.39
TAOK1 Q7L7X3 1/20 0.38
TAOK3 Q9H2K8 1/20 0.38
KMT2A Q03164 1/20 0.36
MAPK14 Q16539 1/20 0.36
OPRM1 P35372 1/20 0.36
ADORA2A P29274 1/20 0.35
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4C Q9H3R0 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL31380358 0.86 HDAC1 (0.48) HDAC1HDAC6CXCR4KDM4EKMT2A
SCHEMBL30983240 0.84 HDAC1 (0.51) HDAC1HDAC6CXCR4CYP2D6CYP3A4
SCHEMBL31380322 0.84 HDAC1 (0.51) HDAC1HDAC6CXCR4CYP2D6CYP3A4
SCHEMBL31380390 0.81 HDAC1 (0.55) HDAC1HDAC6CXCR4KMT2AADORA2A
SCHEMBL31324080 0.81 HDAC1 (0.55) HDAC1HDAC6CXCR4KMT2AADORA2A
SCHEMBL30983280 0.80 HDAC1 (0.52) HDAC1HDAC6CXCR4CYP2D6CYP3A4
SCHEMBL23774817 0.78 HDAC1 (0.53) HDAC1HDAC6CXCR4
SCHEMBL31380393 0.78 HDAC1 (0.53) HDAC1HDAC6CXCR4TAOK1TAOK3
SCHEMBL25217720 0.78 HDAC1 (0.53) HDAC1HDAC6CXCR4
SCHEMBL31380398 0.78 HDAC1 (0.53) HDAC1HDAC6CXCR4

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