SCHEMBL6986197

SCHEMBL6986197

CCN(CC)CCN(c1ccc2c(c1)nc(CCc1ccc(C(=N)N)cc1)n2C)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.56
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RECQL P46063 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 SCHEMBL6964830 0.93 F2 (0.51) F2ALDH1A1PKMMEN1KMT2A
SCHEMBL6983757 0.92 F2 (0.63) F2ALDH1A1PKM
SCHEMBL7685024 0.92 F2 (0.51) F2ALDH1A1PKM
Hydrochloric Acid SCHEMBL6986105 0.92 F2 (0.62) F2ALDH1A1PKM
SCHEMBL7673173 0.91 F2 (0.46) F2ALDH1A1PKMMEN1KMT2A
SCHEMBL6978094 0.89 F2 (0.54) F2ALDH1A1PKMMEN1KMT2A
Hydrochloric Acid SCHEMBL6969834 0.89 F2 (0.54) F2ALDH1A1PKMMEN1KMT2A
Hydrochloric Acid SCHEMBL6974949 0.89 F2 (0.55) F2ALDH1A1PKM
Hydrochloric Acid SCHEMBL6966635 0.89 F2 (0.55) F2ALDH1A1PKM
Hydrochloric Acid SCHEMBL6975837 0.89 F2 (0.52) F2ALDH1A1PKM

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-1220844-B1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2003-04-09 EP disclosed
EP-1220844-A1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-07-10 EP disclosed
US-6365584-B1 FOR PROPHYLAXIS AND THERAPY OF INFLAMMATORY AND/OR ALLERGIC DISEASES, LUNG FIBROSIS, FIBROSING ALVEOLITIS AND SCARRING, COLLAGENOSES SUCH AS LUPUS ERYTHEMATODES AND SCLERODERMIA AS WELL AS ARTERIOSCLEROSIS, PSORIASIS AND NEOPLASM BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-04-02 US disclosed
WO-2001023360-A1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-05 WO disclosed