SCHEMBL19240705

SCHEMBL19240705

CNc1cccc(C(=O)Nc2c(C)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 4/20 0.42
PDK2 Q15119 4/20 0.42
PDK3 Q15120 4/20 0.42
PDK4 Q16654 4/20 0.42
RXFP1 Q9HBX9 6/20 0.41
POLB P06746 1/20 0.40
P2RX1 P51575 2/20 0.39
PTGES O14684 1/20 0.38
RORC P51449 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
P2RX4 Q99571 1/20 0.37
P2RX7 Q99572 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
SCHEMBL21727474 0.88 RXFP1 (0.41) PDK1PDK2PDK3PDK4RXFP1
SCHEMBL15429518 0.88 POLB (0.47) PDK1PDK2PDK3PDK4RXFP1
SCHEMBL1842740 0.87 RXFP1 (0.42) RXFP1POLBP2RX1PTGESNPC1
SCHEMBL2006679 0.84 PTGS1 (0.43) RXFP1POLBP2RX1RORCNPC1
SCHEMBL21727444 0.83 PDK1 (0.39) PDK1PDK2PDK3PDK4RXFP1
SCHEMBL12658945 0.82 POLB (0.39) PDK1PDK2PDK3PDK4RXFP1
SCHEMBL2106043 0.81 RXFP1 (0.40) RXFP1POLBP2RX1NPC1LMNA
SCHEMBL1847012 0.81 DHODH (0.51) P2RX1RORCLMNARAB9A
SCHEMBL12440630 0.80 RXFP1 (0.41) RXFP1P2RX1PTGESGAA
SCHEMBL22212770 0.80 RXFP1 (0.41) RXFP1P2RX1PTGESNPC1LMNA

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-3205642-A2 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND PEST CONTROLLING METHOD Mitsui Chemicals Agro, Inc. (JP) 2017-08-16 EP disclosed