SCHEMBL7974296

SCHEMBL7974296

CC(C)(C)OC(=O)C(CNC(=O)c1ccc(-c2nc(N)nc(Nc3ccccc3)n2)s1)NC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.43
ITGAV P06756 5/20 0.43
ITGA2B P08514 4/20 0.43
SYK P43405 1/20 0.40
NPR3 P17342 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CTSK P43235 3/20 0.37
CTSL P07711 2/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
UBE2B P63146 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7448493 1.00 ITGB3 (0.43) ITGB3ITGAVITGA2BSYKNPR3
SCHEMBL7976545 0.91 ITGB3 (0.52) ITGB3ITGAVITGA2BCTSKL3MBTL1
SCHEMBL7451864 0.91 ITGB3 (0.52) ITGB3ITGAVITGA2BCTSKL3MBTL1
SCHEMBL7456394 0.79 SYK (0.53) ITGB3ITGAVITGA2BSYKCTSK
SCHEMBL7456386 0.79 SYK (0.53) ITGB3ITGAVITGA2BSYKCTSK
SCHEMBL7962795 0.77 SYK (0.51) ITGB3ITGAVITGA2BSYKCTSK
SCHEMBL7455995 0.77 SYK (0.51) ITGB3ITGAVITGA2BSYKCTSK
SCHEMBL7962798 0.77 SYK (0.51) ITGB3ITGAVITGA2BSYKCTSK
SCHEMBL7450308 0.77 HPGDS (0.47) ITGB3ITGAVITGA2BSYKCTSL
SCHEMBL7450313 0.76 SYK (0.49) ITGB3ITGAVITGA2BSYKCTSK

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