SCHEMBL6974714

SCHEMBL6974714

CCN(CC)CCN(c1ccc2c(c1)nc(CCc1ccc(C(=N)N)cc1)n2C)S(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.54
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
RORC P51449 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
Hydrochloric Acid SCHEMBL6969452 0.91 F2 (0.48) F2ALDH1A1PKMMEN1KMT2A
SCHEMBL6983757 0.89 F2 (0.63) F2ALDH1A1PKM
Hydrochloric Acid SCHEMBL6986105 0.88 F2 (0.62) F2ALDH1A1PKM
Hydrochloric Acid SCHEMBL6969834 0.88 F2 (0.54) F2ALDH1A1PKMMEN1RECQL
SCHEMBL6978094 0.88 F2 (0.54) F2ALDH1A1PKMMEN1RECQL
Fumaric Acid SCHEMBL6961054 0.87 F2 (0.54) F2ALDH1A1PKMMEN1RECQL
SCHEMBL6973921 0.87 F2 (0.52) F2
Hydrochloric Acid SCHEMBL7678913 0.87 F2 (0.53) F2ALDH1A1PKM
Hydrochloric Acid SCHEMBL7676997 0.86 F2 (0.51) F2ALDH1A1PKMRORC
Hydrochloric Acid SCHEMBL6969224 0.86 F2 (0.52) F2ALDH1A1PKMMEN1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1220845-B1 ARYL-SULFONAMIDE SUBSTITUTED BENZIMIDAZOL DERIVATIVES AND USE OF SAID AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2003-08-13 EP disclosed
EP-1220845-A1 ARYL-SULFONAMIDE SUBSTITUTED BENZIMIDAZOL DERIVATIVES AND USE OF SAID AS TRYPTASE INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-07-10 EP disclosed
US-6413990-B1 ANTIINFLAMMATORY AGENTS, ANTIALLERGENS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-07-02 US disclosed
WO-2001023359-A1 ARYL-SULFONAMIDE SUBSTITUTED BENZIMIDAZOL DERIVATIVES AND USE OF SAID AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-05 WO disclosed