SCHEMBL9114574

SCHEMBL9114574

Cc1c(F)ccc(C(=S)c2cnoc2C2CC2)c1C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.45
LMNA P02545 1/20 0.34
CRACR2A Q9BSW2 2/20 0.34
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE2A O00408 1/20 0.31
EPHX2 P34913 2/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 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
SCHEMBL9115132 0.89 DHODH (0.43) DHODHLMNACRACR2AALDH1A1HSD17B10
SCHEMBL6438521 0.87 DHODH (0.42) DHODHLMNACRACR2AEPHX2
SCHEMBL9115204 0.84 DHODH (0.43) DHODHLMNACRACR2AALDH1A1HSD17B10
SCHEMBL9115169 0.81 DHODH (0.38) DHODHPDE2A
SCHEMBL9114628 0.81 DHODH (0.44) DHODHLMNACRACR2AALDH1A1HSD17B10
SCHEMBL9117503 0.81 DHODH (0.42) DHODHLMNAALDH1A1HSD17B10PDE2A
SCHEMBL9114291 0.81 DHODH (0.42) DHODHLMNAALDH1A1HSD17B10PDE2A
SCHEMBL9115943 0.79 DHODH (0.40) DHODHLMNAALDH1A1HSD17B10
SCHEMBL9114245 0.79 DHODH (0.40) DHODHLMNAALDH1A1HSD17B10
SCHEMBL9116355 0.79 DHODH (0.41) DHODHLMNAALDH1A1HSD17B10

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-1995022903-A1 NEW PESTICIDAL METHOD RHONE-POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed