SCHEMBL10795228

SCHEMBL10795228

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PER2 O15055 1/20 0.42
CRY1 Q16526 1/20 0.42
CRY2 Q49AN0 1/20 0.42
RORC P51449 5/20 0.41
TAAR1 Q96RJ0 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
HTT P42858 1/20 0.37
S1PR1 P21453 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A9 P48067 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL11793320 0.80 S1PR1 (0.48) RORCTAAR1TSHRS1PR1SLC6A9
SCHEMBL10798802 0.80 MAPT (0.46) PER2CRY1CRY2RORCMEN1
SCHEMBL10795238 0.79 MAPT (0.41) PER2CRY1CRY2RORCMEN1
SCHEMBL14691137 0.78 SLC6A9 (0.43) PER2CRY1CRY2RORCTAAR1
SCHEMBL29173928 0.72 SLC6A2 (0.47) MEN1KMT2ATSHRHTTSLC6A2
SCHEMBL10794729 0.72 HTT (0.40) PER2CRY1CRY2RORCMEN1
SCHEMBL9795668 0.71 HTR3E (0.45) RORCHTTSLC6A9
SCHEMBL354691 0.69 TAAR1 (0.52) PER2CRY1CRY2RORCTAAR1
SCHEMBL10797166 0.69 TAAR1 (0.45) PER2CRY1CRY2RORCTAAR1
SCHEMBL578453 0.68 ALDH1A1 (0.47) RORCMEN1KMT2AHTTSLC6A2

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
US-4652634-A Water-soluble monoazo compounds containing a N-(sulfoalkyl)-aniline coupling component and a fiber-reactive group of the vinylsulfonyl series in the phenyl or benzothiazole diazo component, suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-24 US disclosed
EP-0051808-B1 WATER-SOLUBLE MONOAZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-04 EP disclosed
US-4430259-A Water-soluble disazo compounds suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1984-02-07 US disclosed
EP-0051808-A2 Water-soluble monoazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1982-05-19 EP disclosed