SCHEMBL9688005

SCHEMBL9688005

O=C(NC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.62
RHOC P08134 1/20 0.60
RHOA P61586 1/20 0.60
CNR1 P21554 1/20 0.59
RORC P51449 1/20 0.57
ENPP3 O14638 1/20 0.56
ENPP1 P22413 1/20 0.56
ENPP2 Q13822 1/20 0.56
TRPV1 Q8NER1 2/20 0.55
PTGS1 P23219 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
P2RX1 P51575 1/20 0.55
P2RX4 Q99571 1/20 0.55
P2RX7 Q99572 1/20 0.55
TMPRSS4 Q9NRS4 1/20 0.55
GRIK1 P39086 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL28910371 0.87 TRPV1 (0.71) RHOCRHOARORCENPP3ENPP1
SCHEMBL4922162 0.87 EPHX2 (0.81) EPHX2RHOCRHOACNR1RAB9A
SCHEMBL11437835 0.83 HTT (0.58) NPC1RAB9ASMN1; SMN2HTT
SCHEMBL10869948 0.81 NPC1 (0.77) NPC1RAB9ASMN1; SMN2HTT
SCHEMBL6330860 0.80 TDP1 (0.52) EPHX2ENPP3ENPP1ENPP2TRPV1
SCHEMBL7599768 0.79 EPHX2 (0.58) EPHX2RORCTRPV1NPC1RAB9A
SCHEMBL12841602 0.79 RHOC (0.78) RHOCRHOAENPP3ENPP1ENPP2
Chlotrifmeuron SCHEMBL10868747 0.78 TDP1 (0.70) EPHX2RORCPTGS1NPC1RAB9A
SCHEMBL7513604 0.78 TRPV1 (0.83) EPHX2RORCTRPV1PTGS1NPC1
SCHEMBL28729179 0.78 EPHX2 (1.00) EPHX2RORCNPC1RAB9AHTT

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
US-5166180-A Administering diphenyl substituted (thio)carbonyl(thio)urea derivatives DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1992-11-24 US disclosed