SCHEMBL31606374

SCHEMBL31606374

Cc1cccc2[nH]c(=O)c(C(F)(F)F)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.59
DDO Q99489 4/20 0.59
PARP1 P09874 4/20 0.52
KIF11 P52732 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
KDM4E B2RXH2 2/20 0.41
BRD4 O60885 1/20 0.41
FLT3 P36888 2/20 0.41
AR P10275 3/20 0.40
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL30878020 0.81 DAO (0.59) DAODDOPARP1KIF11CYP1A2
SCHEMBL21404472 0.81 DAO (0.59) DAODDOPARP1KIF11CYP1A2
SCHEMBL30667289 0.79 DAO (0.71) DAODDOPARP1KIF11CYP1A2
SCHEMBL20247282 0.79 DAO (0.71) DAODDOPARP1KIF11CYP1A2
SCHEMBL17537352 0.76 KDM4E (0.54) DAODDOPARP1KIF11CYP1A2
SCHEMBL31139816 0.75 DAO (0.65) DAODDOPARP1KIF11CYP1A2
SCHEMBL3423807 0.75 DAO (1.00) DAODDOCYP1A2CYP2C19TNKS2
SCHEMBL30556309 0.73 DAO (0.55) DAODDOCYP1A2KDM4EBRD4
SCHEMBL4017899 0.73 DAO (0.55) DAODDOCYP1A2KDM4EBRD4
SCHEMBL3423473 0.72 DAO (0.61) DAODDOPARP1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025111184-A1 SUBSTITUTED TETRAHYDROQUINOLINE AND TETRAHYDROQUINOXALINE HERBICIDES FMC CORPORATION (US) 2025-05-30 WO disclosed