SCHEMBL8779815

SCHEMBL8779815

CCCCc1ccc(SC)c(SC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.47
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 3/20 0.38
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38

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
SCHEMBL7490805 0.81 IGF1R (0.39) SKP2IGF1RALOX15
SCHEMBL7758696 0.79 CDK1 (0.46) SKP2HPGDNPC1MAPK1HTT
SCHEMBL6231117 0.79 HPGD (0.41) SKP2HPGDNPC1MAPK1HTT
SCHEMBL21706152 0.78 SKP2 (0.46) SKP2ALDH1A1HSD17B10CYP3A4ESR1
SCHEMBL26034046 0.78 SKP2 (0.50) SKP2ALDH1A1HSD17B10CYP3A4ESR1
SCHEMBL7628388 0.78 MAPT (0.52) MAPK1CA2CA1ALDH1A1HSD17B10
SCHEMBL5181634 0.78 SLC6A2 (0.31) SLC6A2SLC6A4IGF1RALOX15
SCHEMBL7628384 0.78 BACE1 (0.32) HPGDALDH1A1HSD17B10KDM4ELMNA
SCHEMBL5181629 0.78 MIF (0.31) IGF1RALOX15
SCHEMBL7754011 0.76 CYP2D6 (0.39) SKP2HPGDNPC1MAPK1HTT

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
EP-0770599-A1 PROCESS FOR THE PREPARATION OF AROMATIC OR HETEROAROMATIC SULFONYL HALIDES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-05-02 EP disclosed