SCHEMBL6980944

SCHEMBL6980944

CCN(CC)CCN(c1ccc2c(c1)nc(CCc1ccc(C#N)cc1)n2C)S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.44
POLB P06746 2/20 0.43
PKM P14618 2/20 0.41
ALDH1A1 P00352 1/20 0.41
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
NR3C1 P04150 3/20 0.38
PGR P06401 1/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
NR1I2 O75469 1/20 0.38
BRD1 O95696 1/20 0.38
BRPF1 P55201 1/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6972029 0.91 F2 (0.40) F2POLBPKMALDH1A1NR3C1
Hydrochloric Acid SCHEMBL7400466 0.88 F2 (0.47) F2POLBPKMALDH1A1HDAC1
SCHEMBL6977229 0.87 TSHR (0.42) F2POLBPKMALDH1A1BRD1
SCHEMBL6985404 0.86 HDAC1 (0.40) F2POLBNR3C1PGRHDAC1
SCHEMBL6983757 0.85 F2 (0.63) F2PKMALDH1A1
Hydrochloric Acid SCHEMBL6986105 0.85 F2 (0.62) F2PKMALDH1A1
SCHEMBL7676953 0.84 NPC1 (0.48) F2POLBPKMALDH1A1HDAC1
SCHEMBL6635417 0.84 F2 (0.47) F2POLBPKMALDH1A1NR3C1
SCHEMBL8026894 0.84 F2 (0.56) F2POLBFNTAFNTBPGGT1B
SCHEMBL6979801 0.81 F2 (0.62) F2PKMALDH1A1

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