SCHEMBL9708628

SCHEMBL9708628

COCCn1c(=O)n(C)c(=O)c2c1nc(CC(C)(C)C)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 3/20 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
HTT P42858 3/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 6/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
DCTPP1 Q9H773 1/20 0.37
HPGD P15428 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL9707714 0.94 DCTPP1 (0.44) USP2SMN1; SMN2MEN1KMT2AALOX15
SCHEMBL9708050 0.93 ADORA2A (0.39) MEN1KMT2AALDH1A1ADORA2AADORA2B
SCHEMBL9708058 0.92 ADORA3 (0.40) ADORA2AADORA2BADORA3
SCHEMBL9708263 0.92 ADORA3 (0.39) MEN1KMT2AALDH1A1DCTPP1ADORA2A
SCHEMBL9708153 0.92 ADORA3 (0.40) ADORA2AADORA2BADORA3
SCHEMBL9708734 0.91 ALOX15 (0.41) ALOX15HSD17B10HTTLMNAALDH1A1
SCHEMBL9707443 0.91 USP2 (0.42) USP2SMN1; SMN2MEN1KMT2AALOX15
SCHEMBL9708824 0.91 ADORA3 (0.41) USP2SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL9708259 0.91 ADORA3 (0.41) USP2SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL9708771 0.91 ADORA3 (0.36) USP2SMN1; SMN2MEN1KMT2AALOX15

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