SCHEMBL15044689

SCHEMBL15044689

COc1cc(S(=O)(=O)CCO)c(OC)cc1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PTAFR P25105 2/20 0.42
▸ ALPL P05186 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TSHR P16473 4/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL14326954 0.90 MEN1 (0.54) MEN1KMT2AALDH1A1L3MBTL1PTAFR
SCHEMBL10684114 0.86 CA2 (0.43) KMT2APTAFRTSHRSMN1; SMN2CA2
SCHEMBL12829692 0.83 MEN1 (0.43) MEN1KMT2AALDH1A1L3MBTL1PTAFR
SCHEMBL9498351 0.83 PKM (0.45) MEN1KMT2AALDH1A1L3MBTL1PTAFR
SCHEMBL9151797 0.82 PKM (0.60) ALDH1A1L3MBTL1PTAFRCA2HTR2A
SCHEMBL9150135 0.80 PKM (0.49) MEN1KMT2AALDH1A1L3MBTL1PTAFR
SCHEMBL10895034 0.79 CA2 (0.49) ALDH1A1PTAFRMAPK1TSHRCA2
SCHEMBL9497465 0.79 PKM (0.51) ALDH1A1L3MBTL1PTAFRCA2HTR2A
SCHEMBL10925657 0.77 SMN1; SMN2 (0.43) ALDH1A1PTAFRHSD17B10SMN1; SMN2CA2
Sulfuric Acid SCHEMBL11670357 0.77 PKM (0.46) MEN1KMT2AALDH1A1L3MBTL1PTAFR

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
US-8961621-B2 Azo dyes HUNTSMAN INTERNATIONAL LLC (US) 2015-02-24 — — US disclosed
US-20140304926-A1 Azo Dyes HUNTSMAN INTERNATIONAL LLC 2014-10-16 — — US disclosed
WO-2013087400-A2 AZO DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2013-06-20 — — WO disclosed
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