SCHEMBL6058650

SCHEMBL6058650

Cc1cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncc1CBr

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.37
USP30 Q70CQ3 1/20 0.35
AAK1 Q2M2I8 3/20 0.34
PDPK1 O15530 1/20 0.33
SSTR4 P31391 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL6059048 0.88 SYK (0.37) SYKUSP30AAK1PDPK1SSTR4
SCHEMBL1180650 0.82 SYK (0.36) SYKUSP30AAK1PDPK1SSTR4
SCHEMBL6058738 0.81 PDPK1 (0.35) SYKUSP30PDPK1
SCHEMBL6059494 0.80 SYK (0.39) SYKUSP30PDPK1
SCHEMBL24030998 0.79 USP30 (0.37) SYKUSP30AAK1PDPK1SSTR4
SCHEMBL16638904 0.79 SYK (0.36) SYKUSP30AAK1PDPK1SSTR4
SCHEMBL6059074 0.78 SYK (0.38) SYK
SCHEMBL6058663 0.78 SYK (0.38) SYKUSP30PDPK1
SCHEMBL16690795 0.77 PDPK1 (0.33) SYKUSP30PDPK1SSTR4
SCHEMBL6059497 0.77 SYK (0.34) SYKUSP30

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-7071175-B1 Pyridine mercapto carboxylic acids as carboxypeptidase U inhibitors ASTRAZENECA AB (SE) 2006-07-04 US disclosed