SCHEMBL31380403

SCHEMBL31380403

Fc1cc(Br)ccc1CNC1CCCc2cccnc21

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.71
HDAC6 Q9UBN7 4/20 0.71
P2RX7 Q99572 9/20 0.49
KDM1A O60341 1/20 0.44
CXCR4 P61073 3/20 0.44
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL31064271 0.84 HDAC1 (0.65) HDAC1HDAC6P2RX7CXCR4HDAC3
SCHEMBL31064357 0.79 HDAC1 (0.58) HDAC1HDAC6P2RX7CXCR4
SCHEMBL31380390 0.78 HDAC1 (0.55) HDAC1HDAC6CXCR4HDAC8KMT2A
SCHEMBL31324080 0.78 HDAC1 (0.55) HDAC1HDAC6CXCR4HDAC8KMT2A
SCHEMBL30983271 0.77 HDAC1 (0.56) HDAC1HDAC6CXCR4HDAC3HDAC4
SCHEMBL30379489 0.77 HDAC1 (0.61) HDAC1HDAC6P2RX7CXCR4
SCHEMBL13909820 0.77 HDAC1 (0.76) HDAC1HDAC6P2RX7CXCR4KDM4E
SCHEMBL3804425 0.75 HDAC1 (0.57) HDAC1HDAC6KDM1ACXCR4KMT2A
SCHEMBL31064876 0.75 HDAC1 (0.54) HDAC1HDAC6P2RX7CXCR4ALDH1A1
SCHEMBL4562865 0.74 HDAC1 (0.69) HDAC1HDAC6CXCR4KDM4EALDH1A1

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