SCHEMBL9714369

SCHEMBL9714369

O=C=Nc1ccc(OC(F)(F)C(F)F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SCN9A Q15858 2/20 0.33
PDE2A O00408 1/20 0.33
TRPV1 Q8NER1 2/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 2/20 0.31
EPHX2 P34913 1/20 0.30
PTGES2 Q9H7Z7 1/20 0.30

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
SCHEMBL10591868 0.90 LMNA (0.39) ALDH1A1CYP3A4HPGDTDP1PDE2A
SCHEMBL9489490 0.90 ALDH1A1 (0.44) CETPALDH1A1CYP3A4HPGDTDP1
SCHEMBL10592920 0.88 ALDH1A1 (0.33) ALDH1A1CYP3A4HPGDTDP1PDE2A
SCHEMBL10589873 0.88 PDE2A (0.33) ALDH1A1CYP3A4HPGDTDP1PDE2A
SCHEMBL9488815 0.86 PDE2A (0.34) CETPSCN9APDE2ATRPV1PIM1
SCHEMBL10590554 0.85
SCHEMBL11321801 0.84 CETP (0.36) CETPALDH1A1CYP3A4HPGDTDP1
SCHEMBL10592186 0.83
SCHEMBL21239547 0.83 ALOX15 (0.40) ALDH1A1CYP3A4HPGDTDP1TSHR
SCHEMBL29874044 0.83 ALOX15 (0.40) ALDH1A1CYP3A4HPGDTDP1TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5157155-A Insecticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-10-20 US disclosed
EP-0277748-B1 A BENZOYLUREA DERIVATIVE AND ITS PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-05-13 EP disclosed
US-4985460-A Ovicide and Chemosterilant for Insects SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-15 US disclosed
US-4904696-A Benzoylurea derivative and its production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-02-27 US disclosed
EP-0277748-A1 A benzoylurea derivative and its production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-08-10 EP disclosed