SCHEMBL5708457

SCHEMBL5708457

Cc1cc[n+](CCCS(=O)(=O)O)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.58
▸ POLB P06746 2/20 0.58
▸ ALDH1A1 P00352 3/20 0.53
▸ RECQL P46063 2/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.46
▸ MAPT P10636 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ IDE P14735 1/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
Water SCHEMBL1048309 0.99 KDM4E (0.57) KDM4EPOLBALDH1A1RECQLRXFP1
SCHEMBL1002934 0.96 KDM4E (0.57) KDM4EPOLBALDH1A1RECQLRXFP1
SCHEMBL19749239 0.86 KDM4E (0.71) KDM4EPOLBALDH1A1RECQLRXFP1
SCHEMBL13645489 0.83 KDM4E (0.64) KDM4EPOLBRECQLMAPTHTT
SCHEMBL4177550 0.82 KDM4E (0.66) KDM4EPOLBALDH1A1RECQLRXFP1
SCHEMBL13686278 0.81 KDM4E (0.62) KDM4EPOLBRECQL
SCHEMBL19485776 0.80 KDM4E (0.61) KDM4EPOLBALDH1A1RECQLMAPT
Bromide SCHEMBL5394060 0.79 KDM4E (0.64) KDM4EPOLBALDH1A1RECQLMAPT
Iodide SCHEMBL6263617 0.79 KDM4E (0.60) KDM4EPOLBALDH1A1RECQLMAPT
SCHEMBL12201138 0.79 KDM4E (0.59) KDM4EPOLBALDH1A1RECQLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235549-B1 AGENT FOR COLOURING KERATIN CONTAINING FIBRES HENKEL KGAA (DE) 2006-11-29 — — EP claimed
US-9850382-B1 Unsymmetrical cyanine dyes and their application Ying, Laiqiang (US) 2017-12-26 — — US disclosed
EP-1585489-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2005-10-19 — — EP disclosed
EP-1575539-A1 DYE TABLETS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-21 — — EP disclosed
WO-2004058203-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (US) 2004-07-15 — — WO disclosed
WO-2004058202-A1 DYE TABLETS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 — — WO disclosed
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