SCHEMBL9816615

SCHEMBL9816615

COc1ccc(NCCS(=O)(=O)CCO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.58
MAPT P10636 4/20 0.58
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
APAF1 O14727 1/20 0.50
TDP2 O95551 1/20 0.50
THRB P10828 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP6 P55212 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
APP P05067 1/20 0.43
RPS6KA2 Q15349 1/20 0.42

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
SCHEMBL7841993 0.84 GAA (0.58) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL10617462 0.84 GAA (0.53) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL15044746 0.82 MAPT (0.53) GAAMAPTALDH1A1MEN1KMT2A
Sulfuric Acid SCHEMBL28117445 0.82 GAA (0.63) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL4410568 0.80 GAA (0.66) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL4061071 0.79 GAA (0.76) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL9816503 0.79 CA1 (0.39) GAAMAPTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL9735996 0.79 GAA (0.63) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL8087915 0.79 APP (0.39) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL3474221 0.79 CA2 (0.33) GAAMAPTALDH1A1KDM4EAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0174909-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1991-10-16 EP disclosed
US-4841028-A FOR COLD PAD-BATCH PROCESS HUNTSMAN INTERNATIONAL LLC 1989-06-20 US disclosed
US-4709018-A COLORFAST CIBA-GEIGY CORPORATION (US) 1987-11-24 US disclosed
EP-0141776-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1987-07-08 EP disclosed
EP-0174909-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1986-03-19 EP disclosed
EP-0076782-B1 REACTIVE DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1986-03-05 EP disclosed
EP-0141776-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-05-15 EP disclosed
EP-0076782-A2 Reactive dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1983-04-13 EP disclosed
EP-0074928-A2 Reactive dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1983-03-23 EP disclosed