SCHEMBL8594393

SCHEMBL8594393

NCCN(CCC(=O)O)C(=O)Cc1nc(N)c2nc[nH]c2n1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL5091257 0.91 CYP2C19 (0.30) CYP2C19HSD17B10
SCHEMBL8594396 0.83 PDPK1 (0.39) —
SCHEMBL8592141 0.80 CYP1A2 (0.44) CYP2C19HSD17B10
SCHEMBL7758685 0.75 PDE4A (0.33) —
SCHEMBL17165345 0.75 HTT (0.41) CYP2C19HSD17B10
SCHEMBL10361595 0.73 TBXAS1 (0.43) HSD17B10
SCHEMBL5091266 0.73 PDPK1 (0.40) —
SCHEMBL6379581 0.70 HRH2 (0.37) —
SCHEMBL3134133 0.70 CA12 (0.35) CYP2C19
SCHEMBL17060282 0.70 PDPK1 (0.32) —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815259-A1 MODULATION OF THE BINDING PROPERTIES OF NUCLEIC ACID BINDING PARTNERS Roche Diagnostics GmbH (DE) 1998-01-07 — — EP disclosed
EP-0813610-A1 SEQUENCE-SPECIFIC DETECTION OF NUCLEIC ACIDS Roche Diagnostics GmbH (DE) 1997-12-29 — — EP disclosed
WO-1996027680-A1 SEQUENCE-SPECIFIC DETECTION OF NUCLEIC ACIDS BOEHRINGER MANNHEIM GMBH (DE) 1996-09-12 — — WO disclosed
WO-1996027679-A1 MODULATION OF THE BINDING PROPERTIES OF NUCLEIC ACID BINDING PARTNERS BOEHRINGER MANNHEIM GMBH (DE) 1996-09-12 — — WO disclosed
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