SCHEMBL9116360

SCHEMBL9116360

Cc1cc(Br)ccc1C(=S)c1cnoc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

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
POLB P06746 1/20 0.32
CRACR2A Q9BSW2 2/20 0.31
GPR6 P46095 1/20 0.31
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL8492072 0.86 DHODH (0.38) DHODHLMNAPDE2APOLBCRACR2A
SCHEMBL9280090 0.85 DHODH (0.42) DHODHLMNAPDE2AALDH1A1HSD17B10
SCHEMBL9114628 0.85 DHODH (0.44) DHODHLMNAPDE2AALDH1A1HSD17B10
SCHEMBL9117466 0.85 DHODH (0.42) DHODHLMNAPDE2AALDH1A1HSD17B10
SCHEMBL9115219 0.82 DHODH (0.42) DHODHLMNAPDE2AALDH1A1HSD17B10
SCHEMBL9114268 0.79 DHODH (0.43) DHODHLMNAPDE2AALDH1A1HSD17B10
SCHEMBL9115855 0.79 DHODH (0.45) DHODHLMNAALDH1A1
SCHEMBL8747845 0.78 FLT1 (0.36) DHODHLMNAPDE2AALDH1A1CRACR2A
SCHEMBL9114245 0.78 DHODH (0.40) 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