SCHEMBL8631096

SCHEMBL8631096

O=S=Nc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.48
HTR3B O95264 2/20 0.48
HTR3A P46098 2/20 0.48
HTR3D Q70Z44 2/20 0.48
HTR3C Q8WXA8 2/20 0.48
SLC22A2 O15244 1/20 0.48
SLC22A1 O15245 1/20 0.48
SLC22A3 O75751 1/20 0.48
PLAU P00749 1/20 0.48
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
NOS2 P35228 2/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
THPO P40225 1/20 0.43
MAPT P10636 5/20 0.42

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
SCHEMBL10024333 0.84 NOS1 (0.37) NOS1ALDH1A1
SCHEMBL11346166 0.75
SCHEMBL19155352 0.74 ALDH1A1 (0.39) KMT2AMEN1POLBALDH1A1TDP1
SCHEMBL18798628 0.74 NOS1 (0.31) NOS1
SCHEMBL10054324 0.74 NOS1 (0.48) NOS1KMT2AMEN1TSHRCYP3A4
SCHEMBL7870699 0.74 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7870702 0.74 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30102029 0.74 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3181009 0.74 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3019453 0.72 ALDH1A1 (0.43) NOS3NOS1NOS2KMT2AMEN1

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
EP-0549976-B1 Bleachable antihalation system STERLING DIAGNOSTIC IMAGING DE (DE) 1998-02-04 EP disclosed
US-5312721-A Bleachable antihalation system E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-05-17 US disclosed
EP-0549976-A1 Bleachable antihalation system DU PONT DE NEMOURS (DEUTSCHLAND) GMBH (DE) 1993-07-07 EP disclosed