SCHEMBL31542017

SCHEMBL31542017

O=C(Cl)c1ccc(C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.42
KIF11 P52732 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
CES2 O00748 3/20 0.41
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNQ3 O43525 2/20 0.39
KCNQ2 O43526 2/20 0.39
KCNE1 P15382 2/20 0.39
KCNQ1 P51787 2/20 0.39
CES1 P23141 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
XBP1 P17861 1/20 0.38
HDAC1 Q13547 1/20 0.37

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
SCHEMBL2680326 1.00 NOTUM (0.42) NOTUMKIF11RXRARXRBRXRG
SCHEMBL30892335 0.86 GLA (0.45) NOTUMKIF11CES2RAB9ACYP1A2
SCHEMBL278277 0.86 GLA (0.45) NOTUMKIF11CES2RAB9ACYP1A2
SCHEMBL662965 0.84 KIF11 (0.56) NOTUMKIF11CES2RAB9ACYP1A2
SCHEMBL4895466 0.84 P4HB (0.47) NOTUMKIF11RAB9ACYP1A2CYP2D6
SCHEMBL12097542 0.84 MAPT (0.54) NOTUMRAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL8151708 0.84 CES2 (0.47) NOTUMKIF11CES2RAB9ACYP1A2
SCHEMBL1794695 0.84 KDR (0.54) NOTUMTMPRSS4MAPTNPSR1KDR
SCHEMBL31542016 0.84 KDR (0.54) NOTUMTMPRSS4MAPTNPSR1KDR
SCHEMBL759728 0.84 KCNQ3 (0.54) KIF11CES2RAB9ACYP1A2CYP2D6

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-2025089403-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME 住友化学株式会社 2025-05-01 WO disclosed