SCHEMBL8862871

SCHEMBL8862871

Nc1c(Cl)ccc2nc(OCCCO)nc(Cc3ccc4c(c3)OCO4)c12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 9/20 0.40
LTB4R Q15722 1/20 0.40
IGFBP3 P17936 1/20 0.37
MPO P05164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA2A P29274 1/20 0.35
SLC5A2 P31639 1/20 0.35
SLC2A1 P11166 1/20 0.35
CHRM4 P08173 1/20 0.35

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
SCHEMBL8003792 0.96 HSP90AB1 (0.39) HSP90AB1LTB4RIGFBP3MPOALDH1A1
SCHEMBL8862784 0.84 IGFBP3 (0.39) HSP90AB1LTB4RIGFBP3ALDH1A1HSD17B10
SCHEMBL8862704 0.82 LTB4R (0.46) HSP90AB1LTB4RIGFBP3MPOALDH1A1
SCHEMBL27379780 0.82 SLC2A1 (0.47) HSP90AB1LTB4RMPOALDH1A1HSD17B10
SCHEMBL7797896 0.80 HSP90AB1 (0.51) HSP90AB1LTB4RALDH1A1HSD17B10SLC2A1
SCHEMBL27355398 0.78 ALDH1A1 (0.43) LTB4RALDH1A1HSD17B10CHRM4
SCHEMBL9094776 0.77 LTB4R (0.41) HSP90AB1LTB4RIGFBP3ALDH1A1HSD17B10
SCHEMBL29801535 0.75 LTB4R (0.43) HSP90AB1LTB4RSLC2A1
SCHEMBL7797440 0.75 HSP90AB1 (0.40) HSP90AB1LTB4RIGFBP3ALDH1A1SLC2A1
SCHEMBL7794741 0.75 CHRM4 (0.42) HSP90AB1LTB4RIGFBP3ALDH1A1HSD17B10

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
US-5693652-A Benzimidazoles for ischemic heart conditions EISAI CO., LTD. (JP) 1997-12-02 US disclosed