SCHEMBL7652735

SCHEMBL7652735

CCCc1ccccc1-c1ccsc1S(N)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
CA2 P00918 6/20 0.37
PTPRC P08575 1/20 0.34
EDNRA P25101 4/20 0.33
EDNRB P24530 3/20 0.33
LTA4H P09960 1/20 0.33
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA9 Q16790 2/20 0.32
PPARA Q07869 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31

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
SCHEMBL5652598 0.79 CA2 (0.44) ELANECTSGCA2EDNRAEDNRB
SCHEMBL28034970 0.76 CA1 (0.50) CA2PTPRCEDNRAEDNRBCA12
SCHEMBL6704515 0.74 PPARA (0.41) ELANECTSGPPARAALDH1A1
SCHEMBL3100642 0.70 BCAT2 (0.50) CA2PTPRCEDNRAEDNRBCA12
SCHEMBL301797 0.70 CA2 (0.47) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL1164460 0.69 CA2 (0.47) ELANECTSGCA2EDNRAEDNRB
SCHEMBL5655444 0.69 CA2 (0.42) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL27624264 0.69 CA2 (0.44) ELANECTSGCA2CA12CA1
Ammonia Solution, Strong SCHEMBL28150872 0.68 CA2 (0.45) CA2CA12CA1CA9SMN1; SMN2
Hydrochloric Acid SCHEMBL12481385 0.68 CA2 (0.45) CA2CA12CA1CA9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432994-B1 CARDIOVASCULAR DISORDERS, GLAUCOMA; ANTIINFLAMMATORY, WOUND HEALING, HYPOTENSIVE, ANTIASTHMATIC, AND ANTIANAPHYLACTIC AGENTS TEXAS BIOTECHNOLOGY CORPORATION 2002-08-13 US disclosed