SCHEMBL9816682

SCHEMBL9816682

Cc1ccccc1NCCS(=O)(=O)CCO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
HTT P42858 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 3/20 0.40
GAA P10253 2/20 0.40
BRD4 O60885 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALOX12 P18054 1/20 0.38
ADRA2C P18825 1/20 0.38
POLB P06746 1/20 0.38
GRK2 P25098 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 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
SCHEMBL16281838 0.85 MAPT (0.58) MAPTHTTALDH1A1NPC1RAB9A
SCHEMBL7828773 0.84 MAPT (0.56) MAPTHTTALDH1A1NPC1RAB9A
SCHEMBL10616406 0.82 MAPT (0.50) MAPTHTTALDH1A1NPC1RAB9A
SCHEMBL10795158 0.81 MAPT (0.62) MAPTHTTALDH1A1NPC1RAB9A
Sulfuric Acid SCHEMBL28861184 0.81 MAPT (0.62) MAPTHTTL3MBTL1ALDH1A1NPC1
SCHEMBL29589735 0.79 MAPT (0.75) MAPTHTTL3MBTL1ALDH1A1NPC1
SCHEMBL56497 0.79 MAPT (0.75) MAPTHTTL3MBTL1ALDH1A1NPC1
SCHEMBL8431544 0.76 ALDH1A1 (0.47) MAPTL3MBTL1ALDH1A1GAAKDM4E
SCHEMBL1983015 0.75 MAPT (0.69) MAPTHTTL3MBTL1ALDH1A1NPC1
SCHEMBL9852005 0.75 MAPT (0.58) MAPTHTTL3MBTL1ALDH1A1NPC1

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 7 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-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