SCHEMBL6978094

SCHEMBL6978094

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

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.54
HTT P42858 1/20 0.44
PKM P14618 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
USP2 O75604 1/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38

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 SCHEMBL6969834 0.92 F2 (0.54) F2PKMALDH1A1MEN1RECQL
SCHEMBL6983757 0.92 F2 (0.63) F2PKMALDH1A1
Hydrochloric Acid SCHEMBL6986105 0.91 F2 (0.62) F2PKMALDH1A1
Hydrochloric Acid SCHEMBL6977785 0.91 F2 (0.55) F2HTTPKMALDH1A1LMNA
SCHEMBL6976807 0.90 F2 (0.52) F2PKMALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL6975837 0.90 F2 (0.52) F2PKMALDH1A1
Hydrochloric Acid SCHEMBL7678913 0.90 F2 (0.53) F2PKMALDH1A1
Hydrochloric Acid SCHEMBL6979657 0.89 F2 (0.51) F2PKMALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL7676997 0.89 F2 (0.51) F2PKMALDH1A1
SCHEMBL6986197 0.89 F2 (0.56) F2PKMALDH1A1MEN1RECQL

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