SCHEMBL8397909

SCHEMBL8397909

CS(=O)(=O)c1cccc(N=C(N)N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.60
HTR3E A5X5Y0 8/20 0.55
HTR3B O95264 8/20 0.55
HTR3A P46098 8/20 0.55
HTR3D Q70Z44 8/20 0.55
HTR3C Q8WXA8 8/20 0.55
SLC22A2 O15244 2/20 0.50
SLC22A1 O15245 2/20 0.50
SLC22A3 O75751 2/20 0.50
PLAU P00749 2/20 0.50
TAAR1 Q96RJ0 1/20 0.49
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
GLO1 Q04760 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL8334511 0.79 NOS1 (0.49) NOS1CA12CA2GLO1CA9
SCHEMBL11879362 0.77 POLB (0.58) NOS1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14257233 0.77 NOS1 (0.44) NOS1CA12CA2GLO1CA9
SCHEMBL7049487 0.77 NOS1 (0.44) NOS1CA12CA2GLO1CA9
SCHEMBL18856687 0.76 NOS1 (0.43) NOS1CA12CA2GLO1CA9
SCHEMBL18856688 0.76 NOS1 (0.43) NOS1CA12CA2GLO1CA9
SCHEMBL6724203 0.74 SIGMAR1 (0.54) NOS1CA12CA2CA9
SCHEMBL10051059 0.73 CA1 (0.55) CA2
SCHEMBL1772255 0.73 CYP3A4 (0.42) NOS1TAAR1CA12CA2GLO1
SCHEMBL14257779 0.71 MIF (0.45) NOS1CA12CA2GLO1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP claimed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO claimed