SCHEMBL499651

SCHEMBL499651

Nc1ccc2c(c1)SCCN2C1CCN(C(=O)O)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.34
GAA P10253 1/20 0.33
TEC P42680 1/20 0.33
BTK Q06187 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32
HSD17B10 Q99714 3/20 0.32
ALOX15 P16050 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
YWHAG P61981 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL500413 0.86 L3MBTL3 (0.36) CYP1A2CYP2C9CYP2C19KDM4EMAPT
SCHEMBL10264871 0.84 PIK3CD (0.36) GFERHSD17B10KDM4EALDH1A1RYR2
SCHEMBL500030 0.84 USP30 (0.46) KDM4EMAPTTHRBALDH1A1
SCHEMBL499828 0.83 NOTUM (0.46) GFERGAAKDM4EMEN1MAPT
SCHEMBL2675588 0.79 ATAD2 (0.40) GFERGAANOS3NOS1NOS2
SCHEMBL2675527 0.77 BRD4 (0.46) GFERGAACYP2C19HSD17B10ALOX15
SCHEMBL2675693 0.76 BRD4 (0.43) GFERGAAHSD17B10ALOX15KDM4E
SCHEMBL499605 0.75 PABPC1 (0.38) GAAKDM4EMEN1MAPTTHRB
SCHEMBL499521 0.74 NOS3 (0.33) NOS3NOS1NOS2DRD2HTR2A
SCHEMBL1578454 0.70 FPR2 (0.44) KDM4EMAPTTHRBTP53

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-8106043-B2 Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2012-01-31 US disclosed
EP-2310386-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2011-04-20 EP disclosed
WO-2010000073-A1 BENZOXAZINES, BENZOTHIAZINES, AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2010-01-07 WO disclosed