SCHEMBL9514073

SCHEMBL9514073

Cc1cccnc1[N]C(=N)N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.62
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
METAP2 P50579 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PLG P00747 1/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.33
CYP2A6 P11509 1/20 0.33
PDK2 Q15119 1/20 0.33
SLC6A2 P23975 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1854003 0.76 PLAU (0.55) PLAUNOS3NOS1NOS2MAPT
SCHEMBL1851255 0.73 PLAU (0.61) PLAUNOS3NOS1NOS2MAPT
SCHEMBL292776 0.71
SCHEMBL2240052 0.71 NOS3 (0.54) PLAUNOS3NOS1NOS2MAPT
SCHEMBL7663050 0.70 ATM (0.47) PLAUNOS1PLGCYP2A6MEN1
SCHEMBL10971356 0.70
SCHEMBL6404182 0.70
Hydrochloric Acid SCHEMBL17893831 0.69 NOS3 (0.52) PLAUNOS3NOS1NOS2MAPT
SCHEMBL3790728 0.68 SIGMAR1 (0.46) PLAUMAPTL3MBTL1KDM4ELMNA
SCHEMBL14547704 0.68 PLAU (0.55) PLAUNOS3NOS1NOS2MAPT

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
EP-0575490-A1 GnRH ANALOGS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1993-12-29 EP disclosed