SCHEMBL5503705

SCHEMBL5503705

S=C1CC=CC=C1c1ncc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.37
MTOR P42345 1/20 0.35
ADK P55263 1/20 0.35
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SMPD3 Q9NY59 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADRA2A P08913 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL13386056 0.79 NISCH (0.37) NISCHMTORADKALDH1A1SMN1; SMN2
SCHEMBL11600094 0.72
SCHEMBL9556773 0.71
SCHEMBL8537551 0.70 CSNK1A1 (0.37) NISCHMTORADKALDH1A1MEN1
SCHEMBL3117514 0.69
SCHEMBL11327984 0.68 NISCH (0.39) NISCHMTORADKALDH1A1SMN1; SMN2
SCHEMBL16046631 0.68
SCHEMBL20206284 0.66 NISCH (0.38) NISCHMTORADKALDH1A1MEN1
SCHEMBL9095268 0.66 PDPK1 (0.35) SMPD3
SCHEMBL562753 0.66 KDM4E (0.43) NISCHALDH1A1SMN1; SMN2KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807439-A2 KETOLIDE DERIVATIVES AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2007-07-18 EP disclosed
WO-2006046112-A2 KETOLIDE DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-05-04 WO disclosed