SCHEMBL8219724

SCHEMBL8219724

Nc1ccc(C2CC(c3ccc(C4=NCCN4)cc3)=NO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.43
TOP2B Q02880 2/20 0.43
NISCH Q9Y2I1 10/20 0.43
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
MAOB P27338 4/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR1D P28221 1/20 0.40
ADRA1A P35348 1/20 0.40
MAOA P21397 1/20 0.38

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
SCHEMBL8200553 0.88 NISCH (0.60) TOP2ATOP2BNISCHLMNARECQL
SCHEMBL8187010 0.88 LMNA (0.58) TOP2ATOP2BNISCHLMNARECQL
SCHEMBL8190284 0.88 ATM (0.44) TOP2ATOP2BNISCHLMNARECQL
SCHEMBL8197166 0.88 NISCH (0.60) TOP2ATOP2BNISCHLMNARECQL
SCHEMBL8195231 0.87 NISCH (0.55) TOP2ATOP2BNISCHLMNARECQL
SCHEMBL8196690 0.83 RARA (0.45) TOP2ATOP2BNISCHALDH1A1CYP1A2
SCHEMBL8187862 0.81 NISCH (0.56) TOP2ATOP2BNISCHMAOBALDH1A1
SCHEMBL8197475 0.79 MAOB (0.49) TOP2ATOP2BNISCHLMNARECQL
SCHEMBL8195501 0.79 NISCH (0.53) TOP2ATOP2BNISCHMAOBALDH1A1
SCHEMBL8187056 0.79 NISCH (0.53) TOP2ATOP2BNISCHLMNARECQL

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