SCHEMBL9707714

SCHEMBL9707714

COCCn1c(=O)c2c(nc(CC(C)(C)C)n2Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.44
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
DPP4 P27487 1/20 0.39
HTT P42858 3/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TRPC4 Q9UBN4 2/20 0.38
TRPC5 Q9UL62 2/20 0.38
KCNH2 Q12809 1/20 0.38
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
ADORA2A P29274 1/20 0.37

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
SCHEMBL9708628 0.94 USP2 (0.41) DCTPP1USP2SMN1; SMN2MEN1KMT2A
SCHEMBL9708058 0.92 ADORA3 (0.40) ADORA2AADORA2B
SCHEMBL9708263 0.92 ADORA3 (0.39) DCTPP1MEN1KMT2AALDH1A1ADORA2A
SCHEMBL9708153 0.92 ADORA3 (0.40) ADORA2AADORA2B
SCHEMBL9708050 0.92 ADORA2A (0.39) MEN1KMT2AALDH1A1ADORA2AADORA2B
SCHEMBL9708355 0.91 DCTPP1 (0.46) DCTPP1USP2SMN1; SMN2MEN1KMT2A
SCHEMBL9708878 0.91 ALOX15 (0.41) ALOX15HSD17B10DPP4HTTALDH1A1
SCHEMBL9708824 0.91 ADORA3 (0.41) DCTPP1USP2SMN1; SMN2MEN1KMT2A
SCHEMBL9708259 0.91 ADORA3 (0.41) DCTPP1USP2SMN1; SMN2MEN1KMT2A
SCHEMBL9707427 0.91 DCTPP1 (0.37) DCTPP1USP2SMN1; SMN2MEN1KMT2A

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