SCHEMBL8041950

SCHEMBL8041950

CSc1cc(S(F)(F)(F)(F)F)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.36
PDE2A O00408 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
EPHX2 P34913 1/20 0.32
CRACR2A Q9BSW2 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
SCHEMBL8888473 0.83 DHODH (0.36) DHODHPDE2AALDH1A1HPGDCASP3
SCHEMBL8489345 0.83 DHODH (0.49) DHODHALDH1A1HPGDCASP3RAB9A
SCHEMBL29547482 0.83 DHODH (0.49) DHODHALDH1A1HPGDCASP3RAB9A
SCHEMBL8492364 0.82 HPGD (0.37) DHODHPDE2AALDH1A1HPGDCASP3
SCHEMBL8031400 0.81 DHODH (0.35) DHODHPDE2AEPHX2CRACR2A
SCHEMBL8494708 0.81 HPGD (0.46) ALDH1A1HPGDCASP3RAB9ASMN1; SMN2
SCHEMBL8045046 0.80 DHODH (0.35) DHODHPDE2AEPHX2CRACR2A
SCHEMBL8494717 0.80 DHODH (0.40) DHODHPDE2AALDH1A1HPGDCASP3
SCHEMBL8493270 0.80 DHODH (0.34) DHODHPDE2AALDH1A1HPGDCASP3
SCHEMBL7573692 0.80 DHODH (0.34) DHODHPDE2AALDH1A1HPGDCASP3

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
US-5849928-A Herbicidal isoxazole and 2-cyano-1,3-dione compounds RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-12-15 US claimed
US-6140528-A ALKYL PENTAFLUOROSULFANYL-SUBSTITUTED-BENZOATES RHONE-POULENC AGRICULTURE LTD (GB) 2000-10-31 US disclosed
US-6013805-A USED AS HERBICIDES RHONE-POULENC AGRICULTURE LTD (GB) 2000-01-11 US disclosed
US-5849928-A Herbicidal isoxazole and 2-cyano-1,3-dione compounds RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-12-15 US disclosed