SCHEMBL460698

SCHEMBL460698

CC1C(Oc2nc(C(F)(F)F)ccc2NC(=O)c2ccnc(Cl)c2)CN1C/C=C/c1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.34
DDR1 Q08345 1/20 0.33
P2RX7 Q99572 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
S1PR3 Q99500 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TAS1R2 Q8TE23 2/20 0.32
CYP2D6 P10635 2/20 0.32
EGFR P00533 1/20 0.32
CTNNB1 P35222 1/20 0.32
TCF7L2 Q9NQB0 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
RAF1 P04049 1/20 0.31
BRAF P15056 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL460699 1.00 GRM5 (0.34) GRM5DDR1P2RX7MEN1KMT2A
SCHEMBL434931 0.87 GRM5 (0.34) GRM5P2RX7MEN1KMT2AS1PR3
SCHEMBL432023 0.87 GRM5 (0.34) GRM5P2RX7MEN1KMT2AS1PR3
SCHEMBL1420945 0.78 MCHR1 (0.40) MEN1KMT2A
SCHEMBL1420947 0.78 MCHR1 (0.40) MEN1KMT2A
SCHEMBL432153 0.74 GSK3B (0.35)
SCHEMBL432154 0.74 GSK3B (0.35)
SCHEMBL433524 0.74 RAF1 (0.43) RAF1BRAF
SCHEMBL431256 0.74 MCHR1 (0.34) MEN1KMT2A
SCHEMBL431257 0.74 MCHR1 (0.34) MEN1KMT2A

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-2012012366-A1 PESTICIDAL 3-(ARYLOXY)AZACYCLOALKANES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-26 WO claimed