SCHEMBL31380435

SCHEMBL31380435

Brc1cccc2nc(CNC3CCCc4cccnc43)ccc12

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
CXCR4 P61073 12/20 0.44
ADORA2A P29274 1/20 0.37
SLC40A1 Q9NP59 1/20 0.36
GBA1 P04062 1/20 0.35
GRM5 P41594 1/20 0.35
KCNH2 Q12809 1/20 0.35
BACE1 P56817 1/20 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
SCHEMBL30983283 0.82 HDAC1 (0.53) HDAC1HDAC6CXCR4ADORA2AKCNH2
SCHEMBL31380390 0.78 HDAC1 (0.55) HDAC1HDAC6CXCR4ADORA2A
SCHEMBL31324080 0.78 HDAC1 (0.55) HDAC1HDAC6CXCR4ADORA2A
SCHEMBL30379489 0.77 HDAC1 (0.61) HDAC1HDAC6CXCR4ADORA2ASLC40A1
SCHEMBL31380305 0.75 HDAC1 (0.48) HDAC1HDAC6CXCR4ADORA2ASLC40A1
SCHEMBL4887341 0.75 HDAC1 (0.69) HDAC1HDAC6CXCR4
SCHEMBL4562865 0.75 HDAC1 (0.69) HDAC1HDAC6CXCR4
SCHEMBL13909820 0.74 HDAC1 (0.76) HDAC1HDAC6CXCR4
SCHEMBL31380322 0.74 HDAC1 (0.51) HDAC1HDAC6CXCR4GBA1
SCHEMBL30983240 0.74 HDAC1 (0.51) HDAC1HDAC6CXCR4GBA1

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