SCHEMBL8202670

SCHEMBL8202670

Brc1ccc(-c2ccc(C3=NCCN3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 14/20 0.69
LMNA P02545 1/20 0.61
RECQL P46063 1/20 0.61
TOP2A P11388 2/20 0.59
TOP2B Q02880 2/20 0.59
HTR1D P28221 1/20 0.58
ADRA1A P35348 1/20 0.58
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
HPGD P15428 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL1209074 0.98 NISCH (0.66) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL5476725 0.87 NISCH (0.79) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL31249900 0.86 NISCH (0.68) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL8141372 0.82 NISCH (1.00) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL8197880 0.80 NISCH (0.69) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL8188355 0.80 LMNA (0.92) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL17826831 0.78 NISCH (0.66) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL771337 0.78 NISCH (0.66) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL2518908 0.78 NISCH (0.66) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL1685409 0.78 NISCH (0.66) NISCHLMNARECQLTOP2ATOP2B

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