SCHEMBL30859999

SCHEMBL30859999

CCCc1cc(C(F)(F)F)c(=O)[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 6/20 0.44
GLA P06280 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.40
AR P10275 2/20 0.37
BACE1 P56817 1/20 0.36
CTSK P43235 5/20 0.35
IDO1 P14902 1/20 0.34
CTSS P25774 4/20 0.34
CYP1A2 P05177 1/20 0.33
NOTUM Q6P988 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
SCHEMBL30859849 0.86 TIPARP (0.40) TIPARPGLAKDM4EALDH1A1GAA
SCHEMBL28819986 0.83 TIPARP (0.44) TIPARPGLAKDM4EALDH1A1GAA
SCHEMBL15633341 0.79 TIPARP (0.40) TIPARPALDH1A1GAAARIDO1
SCHEMBL24968908 0.75 TIPARP (0.43) TIPARPARIDO1
SCHEMBL8478938 0.75 BACE1 (0.40) GLAKDM4EALDH1A1GAAHPGD
SCHEMBL24968328 0.75 ALDH1A1 (0.47) TIPARPGLAKDM4EALDH1A1HPGD
SCHEMBL30851298 0.74 TIPARP (0.42) TIPARPARIDO1NOTUM
SCHEMBL30507321 0.74 TIPARP (0.43) TIPARPIDO1NOTUM
SCHEMBL16231863 0.74 HCAR2 (0.42) GLAKDM4EALDH1A1GAAMAPT
SCHEMBL15633366 0.73 NOTUM (0.43) TIPARPGLAKDM4EALDH1A1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4594314-A1 PYRIDAZIN-3(2H)-ONE AND PYRIDIN-2(1H)-ONE PARP INHIBITOR COMPOUNDS Azkarra Therapeutics, Inc. (US) 2025-08-06 EP disclosed
CN-119968364-A Pyridazin-3 (2H) -one and pyridin-2 (1H) -one PARP inhibitor compounds 阿兹卡拉疗法公司 2025-05-09 CN disclosed
WO-2024073133-A1 PYRIDAZIN-3(2H)-ONE AND PYRIDIN-2(1H)-ONE PARP INHIBITOR COMPOUNDS AZKARRA THERAPEUTICS, INC. (US) 2024-04-04 WO disclosed