SCHEMBL9708836

SCHEMBL9708836

Cc1nc2c(c(=O)n(C)c(=O)n2CCc2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
LMNA P02545 6/20 0.43
HTT P42858 2/20 0.43
TSHR P16473 6/20 0.43
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AGTR1 P30556 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AGTR2 P50052 1/20 0.40

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
SCHEMBL9708614 0.93 POLB (0.46) LMNAHTTTSHRALDH1A1TP53
SCHEMBL9707701 0.92 ADORA1 (0.44) AGTR1AGTR2
SCHEMBL9708336 0.92 ADORA3 (0.46) AGTR1AGTR2
SCHEMBL9707551 0.92 ADORA3 (0.46) AGTR1AGTR2
SCHEMBL9708256 0.91 HPGD (0.44) HPGD
SCHEMBL9708369 0.91 AGTR1 (0.39) HPGDTSHRMEN1KMT2AAGTR1
SCHEMBL9708823 0.90 ADORA3 (0.45) LMNAMAPK1MEN1KMT2AAGTR1
SCHEMBL9708268 0.90 TSHR (0.46) HPGDHTTTSHRALDH1A1TP53
SCHEMBL9707691 0.90 ADORA3 (0.42) AGTR1AGTR2
SCHEMBL9708711 0.89 ALOX15 (0.46) LMNAHTTTSHRALDH1A1ALOX15

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