SCHEMBL5506512

SCHEMBL5506512

COc1ccc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)NC4CCCCC4)c3)c(C(=O)O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.48
TP53 P04637 2/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41

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
SCHEMBL5508160 0.91 BRD4 (0.47) BRD4TP53PKMALOX15MAPK1
SCHEMBL5505156 0.90 BRD4 (0.46) BRD4TP53PKMALOX15MAPK1
SCHEMBL5509087 0.89 BRD4 (0.47) BRD4TP53PKMALOX15TLR8
SCHEMBL5512043 0.87 BRD4 (0.47) BRD4TP53PKMALOX15MAPK1
SCHEMBL3993378 0.86 BRD4 (0.52) BRD4SMN1; SMN2MEN1GAAKMT2A
SCHEMBL5508905 0.82 BRD4 (0.48) BRD4TP53PKMALOX15MAPK1
SCHEMBL3996396 0.81 BRD4 (0.50) BRD4TP53PKMALOX15SMN1; SMN2
SCHEMBL2875900 0.80 BRD4 (0.48) BRD4TP53PKMALOX15MAPK1
SCHEMBL5508350 0.80 BRD4 (0.48) BRD4TP53PKMALOX15SMN1; SMN2
SCHEMBL2878477 0.79 BRD4 (0.57) BRD4TP53PKMALOX15MAPK1

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