SCHEMBL15044746

SCHEMBL15044746

Cc1ccc(NCCS(=O)(=O)CCO)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
ALDH1A1 P00352 5/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
APAF1 O14727 1/20 0.47
TDP2 O95551 1/20 0.47
LMNA P02545 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RAB9A P51151 1/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA12 O43570 3/20 0.41
CA9 Q16790 2/20 0.41

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
SCHEMBL8087915 0.83 APP (0.39) MAPTALDH1A1MAPK1LMNAMEN1
SCHEMBL9816503 0.83 CA1 (0.39) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL3474221 0.83 CA2 (0.33) MAPTALDH1A1GAAKDM4EMAPK1
SCHEMBL8431544 0.82 ALDH1A1 (0.47) MAPTALDH1A1GAAKDM4EMAPK1
SCHEMBL9816615 0.82 GAA (0.58) MAPTALDH1A1GAAKDM4EMAPK1
SCHEMBL9816419 0.81 TYMS (0.39) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL16173899 0.81 MAPT (0.59) MAPTALDH1A1GAAKDM4EMAPK1
SCHEMBL9100229 0.80 MAPT (0.59) MAPTALDH1A1GAAKDM4EMAPK1
SCHEMBL9736374 0.78 MAPT (0.61) MAPTALDH1A1GAAKDM4EMAPK1
SCHEMBL1003913 0.77 MAPT (0.73) MAPTALDH1A1GAAKDM4EMAPK1

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
US-8961621-B2 Azo dyes HUNTSMAN INTERNATIONAL LLC (US) 2015-02-24 US disclosed
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
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