SCHEMBL9115219

SCHEMBL9115219

Cc1ccc(C(=S)c2cnoc2C2CC2)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.42
LMNA P02545 1/20 0.33
PDE2A O00408 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CRACR2A Q9BSW2 2/20 0.31
NAALAD2 Q9Y3Q0 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 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
SCHEMBL9238887 0.87 DHODH (0.43) DHODHLMNAPDE2AALDH1A1HSD17B10
SCHEMBL9116314 0.84 DHODH (0.40) DHODH
SCHEMBL9116360 0.82 DHODH (0.42) DHODHLMNAPDE2AALDH1A1HSD17B10
SCHEMBL9115692 0.78 DHODH (0.39) DHODHLMNA
SCHEMBL9114245 0.78 DHODH (0.40) DHODHLMNAALDH1A1HSD17B10
SCHEMBL9115943 0.78 DHODH (0.40) DHODHLMNAALDH1A1HSD17B10
SCHEMBL9115132 0.78 DHODH (0.43) DHODHLMNAALDH1A1HSD17B10CRACR2A
SCHEMBL8892117 0.77 DHODH (0.36) DHODHALDH1A1HSD17B10TAS1R3TAS1R1
SCHEMBL9114628 0.77 DHODH (0.44) DHODHLMNAPDE2AALDH1A1HSD17B10
SCHEMBL9280090 0.77 DHODH (0.42) DHODHLMNAPDE2AALDH1A1HSD17B10

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