SCHEMBL4730342

SCHEMBL4730342

CCOCc1nc2nc(NO)[nH]c(=O)c2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 0.34
FGFR2 P21802 5/20 0.34
XDH P47989 3/20 0.33
GDA Q9Y2T3 1/20 0.33
CDC7 O00311 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
ROCK1 Q13464 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
PNP P00491 5/20 0.32
FGFR3 P22607 2/20 0.32

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
SCHEMBL1767745 0.78 PNP (0.56) FGFR1FGFR2PNP
SCHEMBL30663425 0.67 CDC7 (0.38) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL2732869 0.66 XDH (0.46) XDHPNP
SCHEMBL9059982 0.66 XDH (0.43) XDHPNP
SCHEMBL37957 0.65 PNP (0.53) FGFR1FGFR2PNP
SCHEMBL9275474 0.64 XDH (0.38) FGFR1FGFR2XDHGDAPNP
SCHEMBL6440045 0.64 HCAR2 (0.43) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL9194837 0.63 CDC7 (0.38) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL7809880 0.63 XDH (0.61) XDH
SCHEMBL9192934 0.63 CDC7 (0.40) CDC7CCNE1CDK2ROCK1DBF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11052177-B2 Antimicrobial polymer layers THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2021-07-06 US disclosed
US-20150071982-A1 ANTIMICROBIAL POLYMER LAYERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-03-12 US disclosed
WO-2008042748-A2 POLYELECTROLYTE MEDIA FOR BIOACTIVE AGENT DELIVERY SURMODICS, INC. (US) 2008-04-10 WO disclosed