SCHEMBL9707723

SCHEMBL9707723

CCCc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.48
HSD17B10 Q99714 3/20 0.48
ALDH1A1 P00352 12/20 0.47
TSHR P16473 9/20 0.47
NPSR1 Q6W5P4 5/20 0.47
TP53 P04637 2/20 0.47
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 3/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
XBP1 P17861 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL9708706 0.91 ALOX15 (0.50) ALOX15HSD17B10ALDH1A1TSHRNPSR1
SCHEMBL9707930 0.87 AGTR2 (0.39)
SCHEMBL9707955 0.86 AGTR1 (0.46) ALOX15HSD17B10MAPT
SCHEMBL9708176 0.86 AGTR1 (0.51) ALOX15HSD17B10ALDH1A1TSHRNPSR1
SCHEMBL9708644 0.85 ALDH1A1 (0.50) ALOX15HSD17B10ALDH1A1TSHRNPSR1
SCHEMBL9844993 0.84 ALDH1A1 (0.44) ALOX15HSD17B10ALDH1A1TSHRNPSR1
SCHEMBL9707374 0.84 AGTR1 (0.46) ALOX15HSD17B10
SCHEMBL9708536 0.84 AGTR1 (0.46) ALOX15HSD17B10MAPT
SCHEMBL9708564 0.84 AGTR1 (0.46) ALOX15HSD17B10
SCHEMBL9707576 0.84 TSHR (0.45) ALOX15HSD17B10ALDH1A1TSHRNPSR1

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