SCHEMBL8196239

SCHEMBL8196239

Clc1cccc(Cl)c1C1CC(c2ccc(C3=NCCN3)cc2)=NO1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47
MAOB P27338 5/20 0.45
MAOA P21397 3/20 0.45
NISCH Q9Y2I1 6/20 0.44
TOP2A P11388 2/20 0.43
TOP2B Q02880 2/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL8222744 0.85 NISCH (0.44) LMNARECQLNISCHTOP2ATOP2B
SCHEMBL8197475 0.82 MAOB (0.49) LMNARECQLMAOBMAOANISCH
SCHEMBL8187010 0.81 LMNA (0.58) LMNARECQLMAOBMAOANISCH
SCHEMBL8195231 0.81 NISCH (0.55) LMNARECQLMAOBNISCHTOP2A
SCHEMBL8197166 0.79 NISCH (0.60) LMNARECQLMAOBNISCHTOP2A
SCHEMBL8195501 0.78 NISCH (0.53) MAOBMAOANISCHTOP2ATOP2B
SCHEMBL8187056 0.78 NISCH (0.53) LMNARECQLMAOBNISCHTOP2A
SCHEMBL8202983 0.77 NISCH (0.50) MAOBMAOANISCHTOP2ATOP2B
SCHEMBL8219724 0.77 TOP2A (0.43) LMNARECQLMAOBMAOANISCH
SCHEMBL8200553 0.77 NISCH (0.60) LMNARECQLMAOBMAOANISCH

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-2000078726-A1 IMIDAZOLINE DERIVATIVES FOR THE TREATMENT OF DIABETES, ESPECIALLY TYPE II DIABETES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed