SCHEMBL6967149

SCHEMBL6967149

CCN(CC)CCN(c1ccc2c(c1)nc(CCc1ccc(C(N)=NO)cc1)n2C)S(=O)(=O)c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.46
NTRK1 P04629 1/20 0.39
NTRK2 Q16620 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PKM P14618 2/20 0.38
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
BMP1 P13497 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34

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 SCHEMBL6970396 0.91 F2 (0.55) F2NTRK1NTRK2ALDH1A1PKM
SCHEMBL7673173 0.89 F2 (0.46) F2ALDH1A1PKMMEN1RECQL
SCHEMBL6972029 0.87 F2 (0.40) F2NTRK1NTRK2ALDH1A1PKM
SCHEMBL6974208 0.86 BMP1 (0.45) F2ALDH1A1PKMBMP1
SCHEMBL7664504 0.83 F2 (0.43) F2ALDH1A1THRBRECQLHDAC1
SCHEMBL6983757 0.83 F2 (0.63) F2ALDH1A1PKM
Hydrochloric Acid SCHEMBL6974949 0.82 F2 (0.55) F2ALDH1A1PKM
Hydrochloric Acid SCHEMBL6966635 0.82 F2 (0.55) F2ALDH1A1PKMGAA
SCHEMBL7667173 0.82 F2 (0.56) F2ALDH1A1PKMMEN1RECQL
SCHEMBL7664507 0.82 HDAC1 (0.46) F2ALDH1A1THRBRECQLHDAC1

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