SCHEMBL9708711

SCHEMBL9708711

Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 6/20 0.45
ALDH1A1 P00352 6/20 0.45
HTT P42858 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
POLB P06746 1/20 0.45
PCSK9 Q8NBP7 1/20 0.45
DPP4 P27487 1/20 0.45
TSHR P16473 2/20 0.44
BRAF P15056 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL9708258 0.92 MAPT (0.43) SMN1; SMN2LMNAMAPTALDH1A1POLB
SCHEMBL9708256 0.91 HPGD (0.44)
SCHEMBL9708690 0.91 MAPT (0.42) MAPTALDH1A1DPP4BRAF
SCHEMBL9707504 0.90 ALDH1A1 (0.42) ALOX15HSD17B10SMN1; SMN2LMNAMAPT
SCHEMBL9707766 0.90 ALDH1A1 (0.42) ALOX15HSD17B10SMN1; SMN2LMNAMAPT
SCHEMBL9708836 0.89 HPGD (0.47) ALOX15HSD17B10SMN1; SMN2LMNAMAPT
SCHEMBL9708624 0.89 PDE1A (0.44) SMN1; SMN2LMNAALDH1A1NPSR1TSHR
SCHEMBL9708614 0.89 POLB (0.46) ALOX15HSD17B10LMNAMAPTALDH1A1
SCHEMBL9708813 0.89 RAB9A (0.44) SMN1; SMN2LMNAMAPTALDH1A1NPSR1
SCHEMBL9707699 0.89 ALOX15 (0.52) ALOX15HSD17B10SMN1; SMN2LMNAMAPT

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-1992007852-A1 BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO disclosed