SCHEMBL9116328

SCHEMBL9116328

Nc1nc2c(c(=O)[nH]1)NCN2CCC(CO)(CO)CO

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 9/20 0.58
NOS1 P29475 5/20 0.33
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
TK1 P04183 1/20 0.31
CYP1A2 P05177 1/20 0.31
USP2 O75604 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PAH P00439 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
SCHEMBL9235225 0.99 HPRT1 (0.57) HPRT1NOS1NOS3NOS2TK1
SCHEMBL3836268 0.83 HPRT1 (0.61) HPRT1NOS1NOS3NOS2TK1
SCHEMBL9739844 0.82 HPRT1 (0.60) HPRT1NOS1NOS3NOS2USP2
SCHEMBL146837 0.82 HPRT1 (0.58) HPRT1NOS1TK1USP2CASP7
SCHEMBL571646 0.82 HPRT1 (0.60) HPRT1NOS1TK1CYP1A2
SCHEMBL7192798 0.81 HPRT1 (0.57) HPRT1NOS1TK1USP2CASP7
Water SCHEMBL10414024 0.81 HPRT1 (0.57) HPRT1NOS1TK1USP2CASP7
SCHEMBL571080 0.81 HPRT1 (0.60) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL7197096 0.81 HPRT1 (0.57) HPRT1NOS1TK1USP2CASP7
SCHEMBL10920053 0.80 HPRT1 (0.56) HPRT1NOS1USP2CASP7HSD17B10

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-1995022330-A1 ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-08-24 WO disclosed