SCHEMBL11679652

SCHEMBL11679652

[CH2]S(=O)(=NC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.46
▸ PSIP1 O75475 1/20 0.44
▸ HSD11B1 P28845 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA3 P07451 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ PLA2G7 Q13093 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA13 Q8N1Q1 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42

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
SCHEMBL486788 0.73 HTR6 (0.48) HTR6PSIP1ALDH1A1CA1CA2
SCHEMBL2178473 0.73 HTR6 (0.48) HTR6PSIP1ALDH1A1CA1CA2
SCHEMBL2178308 0.73 HTR6 (0.48) HTR6PSIP1ALDH1A1CA1CA2
SCHEMBL10363486 0.71 CA1 (0.54) HTR6PSIP1ALDH1A1CA1CA2
SCHEMBL514197 0.71 HTR6 (0.58) HTR6PSIP1ALDH1A1CA1CA2
SCHEMBL474153 0.70 ALDH1A1 (0.52) HTR6PSIP1ALDH1A1CA1CA2
SCHEMBL18402598 0.68 KDM4E (0.43) HTR6PSIP1ALDH1A1CA1CA2
SCHEMBL17509193 0.68 HTR6 (0.42) HTR6PSIP1HSD11B1ALDH1A1CA1
Methylphenylsulfone SCHEMBL28158010 0.67 PTGS2 (0.58) HTR6PSIP1ALDH1A1CA1CA2
SCHEMBL8320274 0.67 HTR6 (0.52) HTR6PSIP1ALDH1A1CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4060534-A 9-Deoxy-9-methylene-PGF compounds THE UPJOHN COMPANY (US) 1977-11-29 — — US disclosed
US-4021467-A 9-Deoxy-9α-hydroxymethyl-PGF2 analogs THE UPJOHN COMPANY (US) 1977-05-03 — — US disclosed
US-3950363-A PROSTAGLANDIN CYCLIC ETHERS THE UPJOHN COMPANY (US) 1976-04-13 — — US disclosed
Send feedback