SCHEMBL9871051

SCHEMBL9871051

Nc1nc2c(c(=O)[nH]1)NCN2C1(CCO)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 8/20 0.44
▸ NOS1 P29475 5/20 0.33
▸ PNP P00491 1/20 0.32
▸ 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
SCHEMBL9470564 0.85 HPRT1 (0.44) HPRT1NOS1NOS3NOS2CYP1A2
SCHEMBL9665218 0.75 HPRT1 (0.40) HPRT1NOS1PNPTK1USP2
SCHEMBL9739844 0.74 HPRT1 (0.60) HPRT1NOS1PNPNOS3NOS2
SCHEMBL3836268 0.72 HPRT1 (0.61) HPRT1NOS1PNPNOS3NOS2
SCHEMBL9310753 0.71 HPRT1 (0.46) HPRT1NOS1NOS3NOS2USP2
SCHEMBL571646 0.71 HPRT1 (0.60) HPRT1NOS1PNPTK1CYP1A2
SCHEMBL7765227 0.70 HPRT1 (0.47) HPRT1NOS1NOS3NOS2TK1
SCHEMBL4242270 0.70 HPRT1 (0.50) HPRT1NOS1PNPTK1USP2
SCHEMBL10917986 0.69 HPRT1 (0.52) HPRT1NOS1PNPNOS3NOS2
SCHEMBL146427 0.69 HPRT1 (0.61) HPRT1PNPUSP2HSD17B10

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
US-4988703-A Viricides of hydroxyethylcyclopropylguanine ABBOTT LABORATORIES (US) 1991-01-29 — — US disclosed
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