SCHEMBL8777729

SCHEMBL8777729

COc1ccc(CCCCS(N)(=O)=O)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44

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
SCHEMBL11574200 0.90 GAA (0.56) GAACA1CA2CA12CA5A
SCHEMBL11322582 0.82 CA2 (0.52) GAACA1CA2MMP1MMP2
SCHEMBL1406166 0.81 GAA (0.61) GAACA1CA2CA12CA5A
SCHEMBL31090146 0.79 GAA (0.77) GAACA2TUBB4ATUBBTUBA3C
SCHEMBL358592 0.76 GAA (0.62) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL21328231 0.76 CA1 (0.57) CA1CA2CA12CA5ACA9
SCHEMBL8867396 0.76 GAA (0.67) GAACA1CA2CA12CA5A
SCHEMBL8669316 0.76 IGF1R (0.41) CA2TSHR
Sulfuric Acid SCHEMBL687450 0.76 GAA (0.57) GAACA1CA2CA12CA5A
SCHEMBL22230546 0.75 CA1 (0.55) CA1CA2CA12CA5ACA9

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-0585873-B1 Method of preparing disazo pigments CLARIANT GMBH (DE) 1997-12-29 EP disclosed
US-5559216-A AZO COUPLING HOECHST AG (DE) 1996-09-24 US disclosed
EP-0518909-B1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE HOECHST AG (DE) 1994-05-25 EP disclosed
EP-0585873-A1 Method of preparing disazo pigments HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-09 EP disclosed
EP-0518909-A1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE. HOECHST AG (DE) 1992-12-23 EP disclosed
WO-1991013941-A1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-19 WO disclosed