SCHEMBL2195183

SCHEMBL2195183

CS(=O)(=O)c1ccc(C(OC2CCCCC2)c2cc3cc(C(=O)O)cnc3[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCK P35557 12/20 0.45
LNPEP Q9UIQ6 1/20 0.37
KMT2A Q03164 1/20 0.36
CDK2 P24941 1/20 0.35
KDR P35968 1/20 0.35
ATR Q13535 1/20 0.34
EPHX2 P34913 1/20 0.34
PTGS1 P23219 2/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL2196390 0.87 GCK (0.49) GCK
SCHEMBL1959747 0.81 GCK (0.58) GCK
SCHEMBL1959745 0.81 GCK (0.58) GCK
SCHEMBL1964344 0.76 HDAC6 (0.39) GCKEPHX2EGLN1
SCHEMBL1960807 0.76 GCK (0.57) GCKATR
SCHEMBL1961027 0.76 GCK (0.57) GCKATR
SCHEMBL1961944 0.75 GCK (0.55) GCK
SCHEMBL1960236 0.74 GCK (0.56) GCKEPHX2
SCHEMBL1963036 0.74 GCK (0.56) GCKEPHX2
SCHEMBL1962540 0.73 GCK (0.56) GCK

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
WO-2011080755-A1 FUSED NITROGEN HETEROCYCLIC COMPOUNDS, PROCESS OF PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-07-07 WO disclosed