SCHEMBL9116076

SCHEMBL9116076

O=S(=O)(O)[N]c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.52
HTR3B O95264 2/20 0.52
HTR3A P46098 2/20 0.52
HTR3D Q70Z44 2/20 0.52
HTR3C Q8WXA8 2/20 0.52
MEN1 O00255 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
KMT2A Q03164 4/20 0.50
HSP90AA1 P07900 3/20 0.50
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
F2 P00734 3/20 0.44
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
LMNA P02545 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 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
SCHEMBL5513115 0.79 CYP2A6 (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL941460 0.73 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL158853 0.72 POLB (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10017620 0.72 MEN1 (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3283287 0.72 MEN1 (0.75) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1354442 0.72 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
Anthracene SCHEMBL21582023 0.71 LMNA (0.46) MEN1KMT2AKDM4EF2PRSS1
Anthracene SCHEMBL31187000 0.71 LMNA (0.46) MEN1KMT2AKDM4EF2PRSS1
Naphthalene SCHEMBL5574575 0.71 ALOX12 (0.57) KDM4EF2PRSS1PRSS2PRSS3
Naphthalene SCHEMBL672294 0.71 ALOX12 (0.57) KDM4EF2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679696-A1 Water-soluble pyridone-disazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-02 EP claimed
EP-0681623-A1 RADIATION-INDUCED FIXATION OF DYES. CIBA GEIGY AG (CH) 1995-11-15 EP disclosed
EP-0679696-A1 Water-soluble pyridone-disazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-02 EP disclosed
WO-1994018381-A1 RADIATION-INDUCED FIXATION OF DYES CIBA-GEIGY AG (CH) 1994-08-18 WO disclosed