SCHEMBL7976674

SCHEMBL7976674

Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)c2ccc(Br)s2)C(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 14/20 0.51
ITGB3 P05106 11/20 0.51
ITGA2B P08514 11/20 0.51
ITGB1 P05556 4/20 0.51
ITGA5 P08648 4/20 0.51
ITGB5 P18084 4/20 0.51
MYC P01106 1/20 0.41
MAX P61244 1/20 0.41
NPSR1 Q6W5P4 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL7455550 0.89 ITGAV (0.51) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7455544 0.89 ITGAV (0.51) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL6016242 0.84 ITGAV (0.53) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7450546 0.83 ITGB3 (0.47) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7446807 0.83 ITGAV (0.62) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7444601 0.79 ITGAV (0.43) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7455940 0.79 ITGAV (0.47) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7456099 0.78 ITGAV (0.42) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7455933 0.76 ITGAV (0.45) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7354167 0.75 ITGAV (0.47) ITGAVITGB3ITGA2BITGB1ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6274620-B1 2-BENZENESULFONYLAMINO-3-((5-BROMO-THIOPHENE-2-CARBONYL)-AMINO )PROPIONIC ACID-TERT-BUTYL ESTERS AS ANGIOGENESIS INHIBITORS; ANTICARCINOGENIC AGENTS; OSTEOPOROSIS, RESTENOSIS, AND OCULAR NEOVASCULARIZATION BIOCHEM PHARMA INC. (CA) 2001-08-14 US disclosed