SCHEMBL7873867

SCHEMBL7873867

CCCN(CCC)S(=O)(=O)c1ccc(C(C)(C)N)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 14/20 0.55
CA12 O43570 13/20 0.55
CA2 P00918 5/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
SLC22A6 Q4U2R8 1/20 0.55
SLC22A8 Q8TCC7 1/20 0.55
ABCC2 Q92887 1/20 0.55
SLC22A12 Q96S37 1/20 0.55
UGT1A7 Q9HAW7 1/20 0.55
SLC22A11 Q9NSA0 1/20 0.55
CA1 P00915 10/20 0.55
ABCC9 O60706 1/20 0.49
ABCC8 Q09428 1/20 0.49
KCNJ11 Q14654 1/20 0.49
KCNJ8 Q15842 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.48
VCAM1 P19320 1/20 0.48

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
SCHEMBL13990652 0.86 CA9 (0.58) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL414560 0.79 CA9 (0.62) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL23536128 0.77 LMNA (0.52) CA9CA12CA2SMN1; SMN2CA1
Ditolamide SCHEMBL2110790 0.77 CA9 (0.64) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL24961912 0.76 ABCC9 (0.59) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL4081266 0.75 CA9 (0.62) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL2932532 0.75 CA9 (0.62) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL24162488 0.75 KMT2A (0.74) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL28808612 0.75 CA9 (0.62) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL13990835 0.75 CA9 (0.62) CA9CA12CA2RAB9ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed