SCHEMBL31380313

SCHEMBL31380313

Fc1cccc(F)c1-c1ccc(CNC2CCC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.41
HDAC8 Q9BY41 7/20 0.41
HDAC6 Q9UBN7 7/20 0.41
CXCR4 P61073 1/20 0.40
KCNH2 Q12809 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
OPRL1 P41146 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
HDAC5 Q9UQL6 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL30983292 0.84 HDAC1 (0.39) HDAC1HDAC8HDAC6KCNH2OPRL1
SCHEMBL30983249 0.80 MEN1 (0.51) HDAC1HDAC8HDAC6CXCR4HRH3
SCHEMBL31380351 0.79 HDAC1 (0.39) HDAC1HDAC8HDAC6KDM4EHDAC5
SCHEMBL30983305 0.78 CHEK1 (0.42) HDAC1HDAC8HDAC6KCNH2ABL1
SCHEMBL30983220 0.76 HDAC1 (0.50) HDAC1HDAC8HDAC6CXCR4HDAC5
SCHEMBL31380388 0.76 HDAC1 (0.50) HDAC1HDAC8HDAC6CXCR4HDAC5
SCHEMBL31380316 0.75 HDAC1 (0.43) HDAC1HDAC8HDAC6CXCR4HDAC5
SCHEMBL31187808 0.75 TRPV3 (0.37) HDAC1HDAC8HDAC6ABL1
SCHEMBL31064618 0.74 STIM1 (0.39) HTTKDM4E
SCHEMBL24247920 0.74 CXCR4 (0.51) CXCR4KCNH2HRH3OPRL1KDM4E

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