SCHEMBL11565003

SCHEMBL11565003

Nc1ccc2c(c1)N1C(=O)NCC1CO2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
PARP1 P09874 2/20 0.34
CHRNB4 P30926 4/20 0.33
CHRNA3 P32297 4/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NOTUM Q6P988 1/20 0.31
LMNA P02545 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
SCHEMBL11561840 0.83 TSHR (0.39) PARP1GAAMAPT
SCHEMBL11557905 0.83 MAOA (0.35) PARP1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL11561229 0.83 FABP6 (0.38) PARP1
SCHEMBL11560280 0.80 KMT2A (0.42) PARP1GAAMAPTKDM4ELMNA
SCHEMBL11559379 0.80 CYP19A1 (0.41) GAAMAPTKDM4ELMNA
SCHEMBL7471047 0.79 NOTUM (0.43) GAAMAPTNOTUMLMNA
SCHEMBL11564273 0.79 DAO (0.38) PARP1GAAMAPTLMNA
SCHEMBL11563044 0.76 CYP1A2 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4GAA
SCHEMBL11562161 0.76 RIPK1 (0.40) GAA
SCHEMBL11557177 0.70 CHEK1 (0.34) NOS1

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-4134974-A Imidazo[5,1-c][1,4]benzoxazin-1-one CARLO ERBA S. P. A. (IT) 1979-01-16 US disclosed