SCHEMBL8516912

SCHEMBL8516912

Nc1ccc(C(=O)NCCS(=O)(=O)CCO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TSHR P16473 2/20 0.50
MAPT P10636 1/20 0.50
HIF1A Q16665 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ACHE P22303 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA12 O43570 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49

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
SCHEMBL9337533 0.86 LMNA (0.49) LMNAKDM4ETSHRMAPTHIF1A
Hydrochloric Acid SCHEMBL8692099 0.85 LMNA (0.50) LMNAKDM4ETSHRMAPTHIF1A
SCHEMBL15044687 0.84 MMP13 (0.57) LMNAALDH1A1KMT2APOLBMEN1
SCHEMBL8517143 0.82 KDM4E (0.45) KDM4EALDH1A1KMT2AMEN1LOX
SCHEMBL28879276 0.82 LMNA (0.46) LMNAKDM4ETSHRMAPTHIF1A
SCHEMBL12040903 0.82 KDM4E (0.54) LMNAKDM4ETSHRMAPTHIF1A
SCHEMBL8516959 0.82 HDAC3 (0.51) LMNAKDM4EALDH1A1CA1CA2
SCHEMBL853629 0.81 KDM4E (0.61) LMNAKDM4ETSHRMAPTHIF1A
SCHEMBL8517331 0.80 HDAC3 (0.44) KDM4EMAPTALDH1A1CA1CA2
SCHEMBL9344489 0.79 KDM4E (0.68) LMNAKDM4ETSHRMAPTHIF1A

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
EP-0586331-B1 Process for dyeing synthetic polyamid fibre materials CIBA GEIGY AG (CH) 1999-01-07 EP disclosed
US-5356440-A Fiber-reactive dyes containing only one sulfo group CIBA-GEIGY CORPORATION (US) 1994-10-18 US disclosed
EP-0586331-A2 Process for dyeing synthetic polyamid fibre materials CIBA-GEIGY AG (CH) 1994-03-09 EP disclosed