SCHEMBL5512691

SCHEMBL5512691

O=Cc1c(-c2cccc(S(=O)(=O)N(Cl)C3CCCCC3)c2)[nH]c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ MAPT P10636 1/20 0.35
▸ FNTA P49354 3/20 0.35
▸ FNTB P49356 3/20 0.35
▸ GSK3B P49841 2/20 0.34
▸ ALOX15 P16050 2/20 0.33
▸ AHR P35869 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL3997893 0.78 VCP (0.45) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL4138684 0.78 TDP1 (0.38) ALDH1A1KDM4EMEN1KMT2AMCOLN3
SCHEMBL5508919 0.73 KDM4E (0.52) ALDH1A1KDM4EMEN1KMT2AMCOLN3
SCHEMBL5634757 0.73 GSK3B (0.46) KDM4EMEN1KMT2AMAPTGSK3B
SCHEMBL5531315 0.72 ALDH1A1 (0.65) ALDH1A1KDM4EMEN1KMT2AMCOLN3
SCHEMBL5512259 0.71 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2AMCOLN3
SCHEMBL15329668 0.71 AHR (0.50) KDM4EMEN1KMT2AMAPTFNTA
SCHEMBL5512640 0.70 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2AMCOLN3
SCHEMBL6052699 0.69 GSK3B (0.46) KDM4EMEN1KMT2AMAPTGSK3B
SCHEMBL5512695 0.69 BRD4 (0.53) ALDH1A1MAPTALOX15GAA

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
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