SCHEMBL5510889

SCHEMBL5510889

O=S(=O)(Nc1ccccc1)c1[c]cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.48
IL1RN P18510 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
PGR P06401 5/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
PKM P14618 1/20 0.46
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
MAPT P10636 3/20 0.41
ALOX12 P18054 1/20 0.41
GAA P10253 1/20 0.40
GPR27 Q9NS67 1/20 0.40

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
SCHEMBL5146133 0.75 HTR6 (0.46) KMT2AALDH1A1MEN1CA1CA2
SCHEMBL3769126 0.74 PGR (0.73) KEAP1IL1RNERAP1PGRKMT2A
SCHEMBL691617 0.74 ALDH1A1 (0.35) KMT2AALDH1A1MEN1
SCHEMBL7051356 0.73 KEAP1 (0.53) KEAP1IL1RNERAP1PGRKMT2A
SCHEMBL1828766 0.72 HSD11B1 (0.33) KMT2AALDH1A1MEN1
SCHEMBL5510640 0.72 CA1 (0.35) KMT2AALDH1A1MEN1CA1CA2
SCHEMBL11484289 0.71 ADRB2 (0.43) KEAP1IL1RNERAP1
SCHEMBL10455160 0.70 PGR (0.75) KEAP1IL1RNERAP1PGRALDH1A1
SCHEMBL11221736 0.70 PGR (0.59) KEAP1IL1RNERAP1PGRKMT2A
SCHEMBL11030180 0.68 PGR (0.57) KEAP1IL1RNERAP1PGRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844011-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2007-10-17 EP disclosed
WO-2006081343-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-03 WO disclosed