Sugi Predict

Sugi Predict / Compounds / SCHEMBL9707876

SCHEMBL9707876

SCHEMBL9707876

C=C(C)c1nc2[nH]c(=O)n(C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPR18 Q14330 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ AGTR1 P30556 2/20 0.35
▸ AGTR2 P50052 2/20 0.35

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
SCHEMBL9707785 0.92 LGMN (0.34) AGTR1AGTR2
SCHEMBL9707907 0.92 GPR18 (0.37) GPR18KDM4EHPGDAGTR1AGTR2
SCHEMBL9707747 0.87 KDM4E (0.44) GPR18KDM4EHPGDAGTR1AGTR2
SCHEMBL9707844 0.85 AGTR1 (0.45) GPR18AGTR1AGTR2
SCHEMBL9707407 0.84 GPR18 (0.39) GPR18KDM4EHPGDAGTR1AGTR2
SCHEMBL9708425 0.84 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9708193 0.84 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9707302 0.83 GPR18 (0.38) GPR18KDM4EHPGDAGTR1AGTR2
SCHEMBL9707616 0.82 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9707533 0.82 AGTR1 (0.48) AGTR1AGTR2

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 2 patents. 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 claimed
WO-1992007852-A1 BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 — — WO disclosed