SCHEMBL31380341

SCHEMBL31380341

Cc1cc(CNC(=O)OC(C)(C)C)ncc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.47
CACNA1B Q00975 1/20 0.47
CACNA1C Q13936 1/20 0.47
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
KDM4A O75164 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NTRK1 P04629 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PDPK1 O15530 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
NAMPT P43490 1/20 0.36
S1PR2 O95136 2/20 0.36
GRM2 Q14416 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
SCHEMBL17979495 0.81 CACNA1H (0.43) CACNA1HCACNA1BCACNA1CLMNAPOLB
SCHEMBL26656293 0.79 L3MBTL1 (0.43) CACNA1HCACNA1BCACNA1CLMNAKDM4A
SCHEMBL28115513 0.78 CACNA1H (0.51) CACNA1HCACNA1BCACNA1CLMNAPOLB
SCHEMBL13952493 0.77 CA1 (0.43) CACNA1HCACNA1BCACNA1CLMNAKDM4A
SCHEMBL15385130 0.76 CACNA1H (0.46) CACNA1HCACNA1BCACNA1CLMNAPOLB
SCHEMBL26657670 0.76 STK17B (0.47) CACNA1HCACNA1BCACNA1CLMNAPOLB
SCHEMBL30670723 0.76 STK17B (0.47) CACNA1HCACNA1BCACNA1CLMNAPOLB
SCHEMBL19971719 0.74 L3MBTL1 (0.44) CACNA1HCACNA1BCACNA1CLMNAKDM4A
SCHEMBL19794866 0.74 TRPA1 (0.49) CACNA1HCACNA1BCACNA1CCA12CA1
SCHEMBL3633138 0.74 KDM4A (0.54) KDM4ACA12CA1CA2CA9

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