SCHEMBL7963127

SCHEMBL7963127

COc1cccc2c(S(=O)(=O)Nc3oncc3CCl)c(Cc3ccc4c(c3)OCO4)sc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.40
PDE5A O76074 1/20 0.39
ALDH1A1 P00352 10/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.37
LMNA P02545 4/20 0.37
KDM4E B2RXH2 3/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HTT P42858 2/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL4631801 0.85 EDNRA (0.50) HPGD
SCHEMBL6151439 0.76 EDNRA (0.48)
SCHEMBL4631446 0.72 EDNRA (0.52)
SCHEMBL6150865 0.69 EDNRA (0.54)
SCHEMBL7212878 0.69 EDNRA (0.53) HPGDALDH1A1MAPTLMNAMEN1
SCHEMBL7014658 0.68 EDNRA (0.55)
SCHEMBL4631489 0.68 EDNRA (0.53)
SCHEMBL4631516 0.68 EDNRA (0.53)
SCHEMBL4630675 0.68 EDNRB (0.58)
SCHEMBL4630726 0.67 EDNRA (0.47) HPGDALDH1A1MAPTGAATSHR

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-6248767-B1 VASOCONSTRICTION TEXAS BIOTECHNOLOGY CORP. 2001-06-19 US disclosed