SCHEMBL9708054

SCHEMBL9708054

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP1 O94782 6/20 0.42
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ADORA3 P0DMS8 1/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
PDE5A O76074 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 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
SCHEMBL9707871 0.95 ADORA3 (0.42) USP1DCTPP1MEN1KMT2AADORA3
SCHEMBL9707864 0.94 DCTPP1 (0.46) USP1THRBDCTPP1MEN1KMT2A
SCHEMBL9707745 0.93 ADORA2A (0.39) USP1DCTPP1MEN1KMT2AADORA3
SCHEMBL9707508 0.92 ADORA3 (0.42) USP1ADORA3
SCHEMBL9707692 0.92 ADORA3 (0.40) USP1DCTPP1MEN1KMT2AADORA3
SCHEMBL9707777 0.92 ADORA3 (0.42) USP1ADORA3
SCHEMBL9707814 0.91 ADORA3 (0.42) USP1HPGDSMN1; SMN2ADORA3LMNA
SCHEMBL9708021 0.91 ADORA3 (0.42) USP1DCTPP1MEN1KMT2ASMN1; SMN2
SCHEMBL9707419 0.91 ADORA3 (0.42) USP1DCTPP1MEN1KMT2ASMN1; SMN2
SCHEMBL9708900 0.91 USP1 (0.39) USP1DCTPP1MEN1KMT2ASMN1; SMN2

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