SCHEMBL17826831

SCHEMBL17826831

Ic1ccc(C2=NCCN2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 13/20 0.66
LMNA P02545 1/20 0.63
RECQL P46063 1/20 0.63
TOP2A P11388 2/20 0.61
TOP2B Q02880 2/20 0.61
HTR1D P28221 1/20 0.59
ADRA1A P35348 1/20 0.59
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
HPGD P15428 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL5476725 0.89 NISCH (0.79) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL1886692 0.79 NISCH (1.00) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL1882160 0.79 NISCH (0.66) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL523059 0.79 LMNA (0.96) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL8141372 0.79 NISCH (1.00) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL2518908 0.79 NISCH (0.66) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL771337 0.79 NISCH (0.66) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL1685409 0.79 NISCH (0.66) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL1209074 0.79 NISCH (0.66) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL10507263 0.78 NISCH (1.00) 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
EP-2806873-B1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AICURIS GMBH & CO KG (DE) 2016-06-15 EP disclosed