SCHEMBL4136411

SCHEMBL4136411

COc1ccc(CCNS(=O)(=O)c2cccc(Br)c2Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
POLB P06746 1/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA5A P35218 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
AKR1C3 P42330 1/20 0.51
ACLY P53396 1/20 0.48
PPARG P37231 1/20 0.46
NSD2 O96028 2/20 0.46
KMT2A Q03164 1/20 0.45

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
SCHEMBL29259785 0.82 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2POLBCA12CA1
SCHEMBL2881016 0.78 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2POLBCA12CA1
SCHEMBL2875881 0.77 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2POLBNSD2
SCHEMBL29260038 0.75 AKR1C3 (0.69) ALDH1A1SMN1; SMN2POLBCA12CA1
SCHEMBL30822634 0.75 AKR1C3 (0.69) ALDH1A1SMN1; SMN2POLBCA12CA1
SCHEMBL7113122 0.74 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBCA12CA1
SCHEMBL29259796 0.74 ALDH1A1 (0.86) ALDH1A1SMN1; SMN2POLBCA12CA1
SCHEMBL10589292 0.74 ALDH1A1 (0.86) ALDH1A1SMN1; SMN2POLBCA12CA1
SCHEMBL9577185 0.73 RECQL (0.74) ALDH1A1SMN1; SMN2POLBCA12CA9
SCHEMBL15915771 0.71 RECQL (0.59) ALDH1A1SMN1; SMN2NSD2

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-2066628-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-06-10 EP disclosed
WO-2008014186-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-01-31 WO disclosed