SCHEMBL31591114

SCHEMBL31591114

CC(=O)c1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
TMPRSS4 Q9NRS4 7/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CES2 O00748 1/20 0.46
GRIK1 P39086 1/20 0.44
P2RX1 P51575 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
POLQ O75417 1/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
HTT P42858 1/20 0.43
CA12 O43570 1/20 0.41

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
SCHEMBL7779187 1.00 RAB9A (0.50) RAB9ASMN1; SMN2TP53MAPTTMPRSS4
SCHEMBL427243 0.85 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2TP53MAPTCYP1A2
SCHEMBL28462798 0.85 RAB9A (0.50) RAB9ASMN1; SMN2TP53MAPTTMPRSS4
SCHEMBL110827 0.83 RAB9A (0.49) RAB9ASMN1; SMN2TP53MAPTTMPRSS4
SCHEMBL10256214 0.83 NR1H4 (0.49) RAB9ASMN1; SMN2TP53MAPTKDM4E
SCHEMBL14645660 0.82 AR (0.54) MAPTFLT1FLT4KDRMAOB
SCHEMBL29741809 0.82 AR (0.54) MAPTFLT1FLT4KDRMAOB
SCHEMBL26023312 0.82 RAB9A (0.48) RAB9ASMN1; SMN2TP53MAPTTMPRSS4
SCHEMBL8491232 0.82 RAB9A (0.48) RAB9ASMN1; SMN2TP53MAPTTMPRSS4
SCHEMBL31591119 0.81 TMPRSS4 (0.41) RAB9ASMN1; SMN2TP53MAPTTMPRSS4

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
CN-120051451-A Process for preparing 4-chloro-2- (trifluoromethyl) phenyl grignard compounds and derivatives thereof 巴斯夫农业公司 2025-05-27 CN disclosed