SCHEMBL8925091

SCHEMBL8925091

CC[As](C(=O)OC)c1c(C(=O)c2cnoc2C2CC2)ccc(SC)c1F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.33
EPHX2 P34913 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL7553442 0.80 DHODH (0.35) DHODHEPHX2ALDH1A1HPGDCASP3
SCHEMBL7554574 0.79 DHODH (0.33) DHODHEPHX2ALDH1A1HPGDCASP3
SCHEMBL7550434 0.74 DHODH (0.31) DHODH
SCHEMBL9114737 0.74 TUBB4A (0.35) DHODHALDH1A1HPGDCASP3RAB9A
SCHEMBL9069970 0.73 DHODH (0.36) DHODHEPHX2ALDH1A1HPGDCASP3
SCHEMBL9070501 0.73 TUBB4A (0.36) DHODH
SCHEMBL8491166 0.72 TUBB4A (0.34) DHODHALDH1A1HPGDCASP3RAB9A
SCHEMBL7555059 0.72 HPGD (0.35) DHODHALDH1A1HPGDCASP3RAB9A
SCHEMBL7553298 0.72 ALDH1A1 (0.32) DHODHALDH1A1HPGDCASP3RAB9A
SCHEMBL8489274 0.71 DHODH (0.35) DHODHEPHX2ALDH1A1HPGDCASP3

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
US-5658858-A POSTEMERGENCE HERBICIDES RHONE-POULENC ARGRICULTURE LIMITED (GB) 1997-08-19 US disclosed