SCHEMBL9282992

SCHEMBL9282992

Cc1[nH]c(C)c(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)c(=O)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.52
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
PTGS2 P35354 5/20 0.43
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
GRM5 P41594 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
CA9 Q16790 1/20 0.39
BRD4 O60885 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL9265685 0.89 SLC2A1 (0.62) SLC2A1ALDH1A1MAPK1PTGS2KDM4E
SCHEMBL9264323 0.88 SLC2A1 (0.60) SLC2A1ALDH1A1MAPK1PTGS2KDM4E
SCHEMBL9267712 0.86 SLC2A1 (0.50) SLC2A1ALDH1A1CYP3A4MAPK1PTGS2
SCHEMBL9270359 0.81 SLC2A1 (0.78) SLC2A1CYP3A4PTGS2GAACYP2C9
SCHEMBL9260938 0.79 SLC2A1 (0.52) SLC2A1MAPK1HPGDGAAMEN1
SCHEMBL9266442 0.78 PTGS2 (0.50) SLC2A1ALDH1A1CYP3A4MAPK1PTGS2
SCHEMBL3392710 0.76 SLC2A1 (0.48) SLC2A1ALDH1A1PTGS2HPGDALOX15
SCHEMBL9262778 0.76 TYMP (0.51) SLC2A1PTGS2GAAMEN1KMT2A
SCHEMBL3392595 0.76 SLC2A1 (0.48) SLC2A1ALDH1A1CYP3A4MAPK1PTGS2
SCHEMBL9272305 0.76 PDGFRA (0.50) SLC2A1KDM4EALOX15HSD17B10GAA

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
US-5403934-A Heterocyclic compounds BURROUGHS WELLCOME CO. (US) 1995-04-04 US disclosed