SCHEMBL9836976

SCHEMBL9836976

O=C=Nc1cc(F)c(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 1/20 0.44
CYP3A4 P08684 3/20 0.37
TRPA1 O75762 1/20 0.37
KDM1A O60341 2/20 0.32
KDM1B Q8NB78 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL7929412 0.92 TDP1 (0.39) TDP1MAPK1CYP3A4TRPA1KDM1A
SCHEMBL28565939 0.89 TDP1 (0.41) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL10347965 0.88 TDP1 (0.39) TDP1MAPK1CYP3A4TRPA1KDM1A
SCHEMBL1493025 0.84 TDP1 (0.52) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL1457032 0.82 TDP1 (0.56) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL1493000 0.82 TDP1 (0.48) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL24453243 0.79 ALDH1A1 (0.35) TDP1CYP3A4KDM1AKDM1BALDH1A1
SCHEMBL7931545 0.77 TDP1 (0.45) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL9730127 0.75 CYP3A4 (0.50) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL9730202 0.74 ALDH1A1 (0.47) TDP1MAPK1CYP3A4TRPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 EP disclosed