SCHEMBL18156546

SCHEMBL18156546

CNc1cc(C(=O)Nc2c(Cl)cc(C(C)(F)C(F)(F)F)cc2C(F)(F)F)ccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.39
MAPT P10636 2/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
BRAF P15056 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1767387 0.91 AR (0.37) ARMAPTS1PR1S1PR3CYP1A2
SCHEMBL18156585 0.85 CYP2C19 (0.40) MAPTCYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL18156562 0.80 AR (0.37) ARMRGPRX4PDK1PDK2PDK3
SCHEMBL3224751 0.76 PKM (0.38) ARS1PR3RAB9ABRAFKDM4E
SCHEMBL12649121 0.76 BRAF (0.42) MAPTCYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL1766494 0.76 CYP2C19 (0.41) MAPTCYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL3213689 0.73 NPC1 (0.36) ARMAPTRAB9AKDM4EALDH1A1
SCHEMBL9894400 0.72 S1PR3 (0.47) ARS1PR1S1PR3KCNQ3KCNQ2
SCHEMBL12355744 0.72 AR (0.36) ARBRAFKCNQ3KCNQ2KCNE1
SCHEMBL18023968 0.71 HDAC1 (0.42) ARS1PR1S1PR3CYP1A2CYP2D6

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
EP-3081552-A1 PEST CONTROL AGENT CONTAINING AN AMIDE DERIVATIVE AND USE OF THE PEST CONTROL AGENT Mitsui Chemicals Agro, Inc. (JP) 2016-10-19 EP disclosed