SCHEMBL9714358

SCHEMBL9714358

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
RECQL P46063 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
MAPK14 Q16539 4/20 0.43
MAPK13 O15264 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SCN9A Q15858 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL29438177 0.86 KIF11 (0.51) ALDH1A1CA1CA2CA9TRPV1
SCHEMBL10591895 0.83 HDAC1 (0.48) ALDH1A1HDAC1HDAC6CA1CA2
SCHEMBL4908300 0.80 MAPT (0.38) ALDH1A1TRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL9528513 0.80 MAPT (0.52) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL8320072 0.79 RAB9A (0.57) ALDH1A1HDAC1HDAC6CA1CA2
SCHEMBL9527285 0.79 ALDH1A1 (0.64) ALDH1A1CA1CA2CA9RECQL
SCHEMBL350841 0.78 KMT2A (0.58) ALDH1A1TRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL9617275 0.78 HTT (0.40) ALDH1A1TRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL6073512 0.77 HDAC1 (0.54) ALDH1A1HDAC1HDAC6CA1CA2
SCHEMBL29607291 0.77 HSD17B10 (0.49) ALDH1A1CA1CA2CA9RECQL

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