SCHEMBL13744645

SCHEMBL13744645

Cc1ccc2cc(S(=O)(=O)C(C)OS(=O)(=O)O)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP2A6 P11509 3/20 0.39
CYP1A2 P05177 3/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BMP1 P13497 1/20 0.37
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
KAT6A Q92794 3/20 0.35
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL13744079 0.81 KMT2A (0.42) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL13744667 0.78 SNCA (0.38) SNCAALDH1A1CYP1A2MAPK1SMN1; SMN2
SCHEMBL13744492 0.78 ALDH1A1 (0.35) SNCAALDH1A1CYP1A2HPGDSMN1; SMN2
SCHEMBL13196224 0.76 LMNA (0.38) ALDH1A1HPGDTSHRSMN1; SMN2TDP1
SCHEMBL13744706 0.75 TSHR (0.47) ALDH1A1KMT2AMEN1TSHRMAPK1
SCHEMBL4075108 0.75 SNCA (0.69) SNCAALDH1A1CYP2A6CYP1A2USP2
SCHEMBL13744377 0.74 CYP1A2 (0.41) SNCAALDH1A1CYP2A6CYP1A2TSHR
SCHEMBL8472933 0.74 CASP6 (0.43) ALDH1A1CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL10604074 0.73 SNCA (0.67) SNCAALDH1A1CYP2A6CYP1A2USP2
SCHEMBL1819324 0.72 TSHR (0.48) ALDH1A1KMT2AMEN1USP2TSHR

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
US-7572301-B2 Fibre-reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2009-08-11 US disclosed
US-20080250575-A1 Fibre-Reactive Dyes, Their Preparation And Their Use HUNTSMAN INTERNATIONAL LLC 2008-10-16 US disclosed