SCHEMBL3564868

SCHEMBL3564868

O=C(O)[C@@H]1C[C@@H](O)CN1c1nc(-n2ccnc2)ns1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
NOS2 P35228 4/20 0.33
CD38 P28907 8/20 0.33
SCN9A Q15858 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NOS1 P29475 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
ATM Q13315 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31
P2RY12 Q9H244 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
SCHEMBL3563224 1.00 GAA (0.36) GAANOS2CD38SCN9AMEN1
SCHEMBL3558401 1.00 GAA (0.36) GAANOS2CD38SCN9AMEN1
SCHEMBL3629701 0.82 NOS2 (0.43) NOS2NOS1
SCHEMBL3622846 0.82 NOS2 (0.43) NOS2NOS1
SCHEMBL3560162 0.81 PORCN (0.42) NOS2CD38KMT2A
SCHEMBL3560159 0.81 PORCN (0.42) NOS2CD38KMT2A
SCHEMBL3563583 0.81 PORCN (0.42) NOS2CD38KMT2A
SCHEMBL3561824 0.80 NOS2 (0.40) NOS2CD38
SCHEMBL3561819 0.80 NOS2 (0.40) NOS2CD38
SCHEMBL3563649 0.76 CHEK1 (0.47) NOS2CD38MEN1USP2LMNA

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-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed