SCHEMBL8798169

SCHEMBL8798169

Fc1ccc2c(c1F)OCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.41
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
HTT P42858 1/20 0.38
PTGS2 P35354 3/20 0.37
PTGS1 P23219 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 1/20 0.35
NQO2 P16083 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL25166479 0.78 AOC3 (0.42) AOC3TXNRD1TXNRD3TXNRD2ABCG2
SCHEMBL12865269 0.78 NQO2 (0.40) AOC3TXNRD1TXNRD3TXNRD2ABCG2
SCHEMBL19492639 0.78 NQO2 (0.47) AOC3TXNRD1TXNRD3TXNRD2ABCG2
SCHEMBL25981475 0.78 AOC3 (0.54) AOC3TXNRD1TXNRD3TXNRD2ABCG2
SCHEMBL1172231 0.78 TXNRD1 (0.37) AOC3TXNRD1TXNRD3TXNRD2ABCG2
SCHEMBL22589288 0.75 ALDH1A1 (0.44) AOC3TXNRD1TXNRD3TXNRD2HTT
SCHEMBL27496097 0.75 TDP1 (0.44) AOC3TXNRD1TXNRD3TXNRD2ABCG2
SCHEMBL9266225 0.75 ABCG2 (0.50) ABCG2HTTALDH1A1HSD17B10TDP1
SCHEMBL1224045 0.74 ABCG2 (0.52) TXNRD1TXNRD3TXNRD2ABCG2ALDH1A1
SCHEMBL21979683 0.74 AOC3 (0.36) AOC3TXNRD1TXNRD3TXNRD2ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517476-B1 Benzimidazole derivatives, a method for producing the same, agricultural and horticultural fungicides containing the same as an active ingredient and intermediate compounds thereof SUMITOMO CHEMICAL CO (JP) 1997-10-08 EP disclosed
US-5472974-A Benzimidazole derivatives, agricultural and horticultural fungicides containing the same as an active ingredient and intermediate compounds thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-12-05 US disclosed
US-5395952-A Nonphytotoxic SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-07 US disclosed
EP-0634404-A1 Phtalazin derivatives and their use as pesticides RHONE POULENC AGRICULTURE LTD. (GB) 1995-01-18 EP disclosed
US-5310747-A Benzimidazole derivatives, agricultural and horticultural fungicides containing the same as an active ingredient and intermediate compounds thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-05-10 US disclosed
US-5223536-A Pyrethroid-like pesticides FMC CORPORATION (US) 1993-06-29 US disclosed
WO-1993001715-A1 1,4-DIARYL-1-CYCLOPROPYL-4-SUBSTITUTED BUTANES AS INSECTICIDES AND ACARICIDES FMC CORPORATION (US) 1993-02-04 WO disclosed
EP-0517476-A2 Benzimidazole derivatives, a method for producing the same, agricultural and horticultural fungicides containing the same as an active ingredient and intermediate compounds thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1992-12-09 EP disclosed