SCHEMBL9037867

SCHEMBL9037867

NC(=Nc1ccc(CNC(=O)OCc2ccccc2)cc1)c1cccs1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.69
NOS1 P29475 4/20 0.53
PRSS1 P07477 2/20 0.53
TPSAB1 Q15661 2/20 0.53
NOS2 P35228 2/20 0.49
HPGD P15428 1/20 0.49
HDAC1 Q13547 1/20 0.48
NOS3 P29474 2/20 0.48

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
SCHEMBL6973673 0.84 NOS1 (0.60) NOS1NOS2NOS3
SCHEMBL6973670 0.84 NOS1 (0.60) NOS1NOS2NOS3
SCHEMBL6968104 0.83 NOS1 (0.57) NOS1NOS2HPGDNOS3
SCHEMBL6282503 0.81 NOS1 (0.51) NOS1NOS2HPGDNOS3
SCHEMBL6968445 0.81 NOS1 (0.60) NOS1TPSAB1NOS2HPGDNOS3
SCHEMBL6282506 0.81 NOS1 (0.51) NOS1NOS2HPGDNOS3
SCHEMBL6968123 0.81 NOS1 (0.68) NOS1NOS2NOS3
SCHEMBL6966986 0.80 NOS1 (0.64) NOS1PRSS1TPSAB1NOS2HPGD
SCHEMBL9218996 0.79 NOS1 (0.54) NOS1NOS2NOS3
SCHEMBL9037862 0.77 NPC1 (0.51) PLAUHPGDHDAC1

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-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP claimed