SCHEMBL2177771

SCHEMBL2177771

CCS(=O)(=O)c1ccc(C(Cc2cc3cnc(CC(=O)O)nc3[nH]2)C2CCOCC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.33
CNR2 P34972 3/20 0.33
GCK P35557 7/20 0.33
MAPK1 P28482 1/20 0.32
RORC P51449 1/20 0.31
P2RX7 Q99572 2/20 0.31
ADAMTS4 O75173 1/20 0.31

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
SCHEMBL2180465 0.92 GCK (0.38) NAMPTGCKMAPK1
SCHEMBL2179066 0.83 EGLN2 (0.39) NAMPTGCKADAMTS4
SCHEMBL2177767 0.81 GCK (0.39) GCK
SCHEMBL2180461 0.73 GCK (0.46) GCK
SCHEMBL2180005 0.69 GCK (0.40) GCK
SCHEMBL2178527 0.68 GCK (0.35) GCKMAPK1
SCHEMBL2179386 0.68 GCK (0.35) GCKMAPK1
SCHEMBL2179064 0.65 GCK (0.44) GCK
SCHEMBL2038418 0.64 KMT2A (0.38) NAMPTGCKRORC
SCHEMBL2039421 0.63 GCK (0.39) 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