SCHEMBL8891934

SCHEMBL8891934

CSc1ccccc1Cc1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.41
PTGDR2 Q9Y5Y4 7/20 0.36
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
SLC6A9 P48067 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
DDR1 Q08345 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
NPC1 O15118 1/20 0.33
GMNN O75496 1/20 0.33

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
SCHEMBL8891126 0.91 DHODH (0.41) DHODHPTGDR2HPGDRAB9ASMN1; SMN2
SCHEMBL8907895 0.89 HPGD (0.36) DHODHPTGDR2HPGDRAB9ASMN1; SMN2
SCHEMBL8891465 0.88 HPGD (0.39) DHODHHPGDRAB9ASMN1; SMN2NPSR1
SCHEMBL8891110 0.87 DHODH (0.43) DHODHPTGDR2RAB9ASMN1; SMN2NPSR1
SCHEMBL8889692 0.87 ALDH1A1 (0.37) HPGDRAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL8889689 0.87 HPGD (0.39) DHODHHPGDRAB9ASMN1; SMN2NPSR1
SCHEMBL8900763 0.87 HPGD (0.38) PTGDR2HPGDRAB9ASMN1; SMN2NPSR1
SCHEMBL8892156 0.87 HPGD (0.36) DHODHHPGDRAB9ASMN1; SMN2NPSR1
SCHEMBL8889548 0.85 DHODH (0.47) DHODHPTGDR2MEN1KMT2AKDM4C
SCHEMBL8489345 0.84 DHODH (0.49) DHODHPTGDR2HPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed