SCHEMBL9834243

SCHEMBL9834243

O=C=Nc1c(Cl)cc(Cl)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
ERN1 O75460 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
RECQL P46063 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL1019709 0.85 MAPK1 (0.45) MAPK1TDP1GABRA1GABRB2ERN1
SCHEMBL3388964 0.81 GABRA1 (0.32) MAPK1TDP1GABRA1GABRB2ERN1
SCHEMBL10615712 0.78 GABRA1 (0.50) MAPK1TDP1GABRA1GABRB2
SCHEMBL6330610 0.77 MAPK1 (0.42) MAPK1TDP1GABRA1GABRB2
SCHEMBL9835832 0.76 MAPK1 (0.38) MAPK1TDP1GABRA1GABRB2ALDH1A1
SCHEMBL10882218 0.74 GABRA1 (0.41) MAPK1TDP1GABRA1GABRB2ALDH1A1
SCHEMBL10614846 0.73 GABRA1 (0.53) MAPK1TDP1GABRA1GABRB2ALDH1A1
SCHEMBL11341535 0.73 MAPK1 (0.36) MAPK1TDP1GABRA1GABRB2ALDH1A1
SCHEMBL8678915 0.73 MAPK1 (0.44) MAPK1TDP1GABRA1GABRB2ALDH1A1
SCHEMBL8641955 0.72 MAPK1 (0.50) MAPK1TDP1GABRA1GABRB2CYP3A4

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