SCHEMBL7563643

SCHEMBL7563643

O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.72
CYP19A1 P11511 1/20 0.69
MAPT P10636 4/20 0.66
GAA P10253 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP1A2 P05177 1/20 0.61
POLB P06746 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
CDK1 P06493 1/20 0.60
CCNB1 P14635 1/20 0.60
CCNA2 P20248 1/20 0.60
CDK2 P24941 1/20 0.60
CDK7 P50613 1/20 0.60
CCNH P51946 1/20 0.60
CCNA1 P78396 1/20 0.60
ATIC P31939 1/20 0.59

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
SCHEMBL7571166 0.89 MAPT (0.80) CES1CYP19A1MAPTMEN1KMT2A
SCHEMBL10361762 0.89 MAPT (0.65) CES1MAPTMEN1KMT2ACYP1A2
SCHEMBL4881670 0.86 MAPT (0.66) CES1CYP19A1MAPTALDH1A1ESR1
SCHEMBL7571133 0.86 MAPT (0.63) CYP19A1MAPTGAAMEN1KMT2A
SCHEMBL23093373 0.86 PRMT1 (0.62) CES1MAPTMEN1KMT2ACYP1A2
SCHEMBL5163794 0.86 LMNA (0.62) CYP19A1MAPTGAAMEN1KMT2A
SCHEMBL17174222 0.85 CES1 (0.66) CES1CYP19A1MAPTGAAMEN1
SCHEMBL2474197 0.85 CES1 (1.00) CES1CYP19A1MAPTGAAMEN1
SCHEMBL6554630 0.85 CES1 (1.00) CES1CYP19A1MAPTGAAMEN1
SCHEMBL3915628 0.83 HDAC1 (0.54) CES1CYP19A1MAPTGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0104353-B1 HEAT SENSITIVE RECORD MATERIAL HODOGAYA CHEMICAL CO., LTD. (JP) 1987-10-28 EP claimed
US-4482905-A FLUORAN, BENZENESULFONAMIDE, ACID, BINDER HODOGAYA CHEMICAL CO., LTD. (JP) 1984-11-13 US claimed
EP-0104353-A2 Heat sensitive record material HODOGAYA CHEMICAL CO., LTD. (JP) 1984-04-04 EP claimed
EP-2955173-A1 NOVEL 1,2-BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2015-12-16 EP disclosed
WO-2002078970-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-10-10 WO disclosed