SCHEMBL8187010

SCHEMBL8187010

Clc1ccc(C2CC(c3ccc(C4=NCCN4)cc3)=NO2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
RECQL P46063 1/20 0.58
MAOB P27338 4/20 0.46
TOP2A P11388 2/20 0.43
TOP2B Q02880 2/20 0.43
NISCH Q9Y2I1 6/20 0.43
S1PR1 P21453 1/20 0.40
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
MAOA P21397 1/20 0.40

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
SCHEMBL8190284 0.88 ATM (0.44) LMNARECQLMAOBTOP2ATOP2B
SCHEMBL8200553 0.88 NISCH (0.60) LMNARECQLMAOBTOP2ATOP2B
SCHEMBL8219724 0.88 TOP2A (0.43) LMNARECQLMAOBTOP2ATOP2B
SCHEMBL8197166 0.88 NISCH (0.60) LMNARECQLMAOBTOP2ATOP2B
SCHEMBL8195231 0.87 NISCH (0.55) LMNARECQLMAOBTOP2ATOP2B
SCHEMBL8197475 0.86 MAOB (0.49) LMNARECQLMAOBTOP2ATOP2B
SCHEMBL8196690 0.83 RARA (0.45) TOP2ATOP2BNISCHS1PR1ALDH1A1
SCHEMBL8196239 0.81 LMNA (0.47) LMNARECQLMAOBTOP2ATOP2B
SCHEMBL8187862 0.81 NISCH (0.56) MAOBTOP2ATOP2BNISCHALDH1A1
SCHEMBL8187056 0.79 NISCH (0.53) LMNARECQLMAOBTOP2ATOP2B

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