SCHEMBL11539749

SCHEMBL11539749

COc1cccc(C=C(C)S(N)(=O)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
PTGS2 P35354 1/20 0.51
CHRM5 P08912 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
CYP19A1 P11511 1/20 0.47
RELA Q04206 1/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
STS P08842 1/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46

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
SCHEMBL11539745 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2APTGS2CHRM5
SCHEMBL11541863 0.82 ALDH1A1 (0.48) MEN1ALDH1A1KMT2APTGS2CHRM5
SCHEMBL11541865 0.82 ALDH1A1 (0.48) MEN1ALDH1A1KMT2APTGS2CHRM5
SCHEMBL22791460 0.80 TAAR1 (0.57) MEN1ALDH1A1KMT2ACHRM5TAAR1
SCHEMBL14198012 0.79 CHRM5 (0.58) MEN1ALDH1A1KMT2ACHRM5TAAR1
SCHEMBL5418658 0.77 AKR1C3 (0.50) ALDH1A1PTGS2
SCHEMBL4619195 0.77 AKR1C3 (0.50) ALDH1A1PTGS2
SCHEMBL5419434 0.77 AKR1C3 (0.50) ALDH1A1PTGS2
SCHEMBL11538352 0.77 AKR1C3 (0.49) MEN1ALDH1A1KMT2ACHRM5MAPT
SCHEMBL11538355 0.77 AKR1C3 (0.49) MEN1ALDH1A1KMT2ACHRM5MAPT

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-4136180-A HYPOLIPIDEMIC SUBSTITUTED STYRENESULFONYLUREAS PFIZER INC. (US) 1979-01-23 US disclosed
US-4062960-A Hypolipidemic alkenesulfonamides PFIZER INC. (US) 1977-12-13 US disclosed
US-3983107-A ARTERIOSCLEROSIS PFIZER INC. (US) 1976-09-28 US disclosed