SCHEMBL18156558

SCHEMBL18156558

CC(F)(c1cc(Br)c(NC(=O)c2cccc(N)c2F)c(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.41
P2RX1 P51575 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
CTSS P25774 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
KCNK3 O14649 2/20 0.34
KCNK9 Q9NPC2 2/20 0.34
P2RX7 Q99572 1/20 0.34
MEN1 O00255 1/20 0.34
OPRK1 P41145 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
F2R P25116 1/20 0.33
UGCG Q16739 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
SCHEMBL18156586 0.92 PTGS1 (0.42) PTGS1P2RX1SMN1; SMN2RXFP1P2RX7
SCHEMBL29265439 0.92 PTGS1 (0.42) PTGS1P2RX1SMN1; SMN2CTSSRXFP1
SCHEMBL1766505 0.89 PTGS1 (0.42) PTGS1P2RX1SMN1; SMN2CTSSRXFP1
SCHEMBL29615074 0.89 PTGS1 (0.42) PTGS1P2RX1SMN1; SMN2CTSSRXFP1
SCHEMBL18156542 0.87 SMN1; SMN2 (0.42) SMN1; SMN2CTSSRXFP1
SCHEMBL20176668 0.83 RXFP1 (0.46) SMN1; SMN2RXFP1KCNK3KCNK9MEN1
SCHEMBL1766826 0.82 PTGS1 (0.39) PTGS1P2RX1SMN1; SMN2RXFP1P2RX7
SCHEMBL24963640 0.82 KDM4E (0.45) PTGS1P2RX1SMN1; SMN2RXFP1KCNK3
SCHEMBL18156554 0.81 PTGS1 (0.42) PTGS1P2RX1RXFP1P2RX7UGCG
SCHEMBL22664743 0.81 PTGS1 (0.46) PTGS1P2RX1SMN1; SMN2CTSSRXFP1

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