SCHEMBL6972029

SCHEMBL6972029

CCN(CC)CCN(c1ccc2c(c1)nc(CCc1ccc(C#N)cc1)n2C)S(=O)(=O)c1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.40
NTRK1 P04629 1/20 0.39
NTRK2 Q16620 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
NR3C1 P04150 1/20 0.35
POLB P06746 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
GAA P10253 1/20 0.34
BRPF1 P55201 2/20 0.34
BRD1 O95696 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL6980944 0.91 F2 (0.44) F2ALDH1A1PKMMEN1RECQL
SCHEMBL6967149 0.87 F2 (0.46) F2NTRK1NTRK2ALDH1A1PKM
Hydrochloric Acid SCHEMBL6970396 0.86 F2 (0.55) F2NTRK1NTRK2ALDH1A1PKM
SCHEMBL6977229 0.82 TSHR (0.42) F2ALDH1A1PKMMEN1RECQL
Hydrochloric Acid SCHEMBL7400466 0.81 F2 (0.47) F2NTRK1NTRK2ALDH1A1PKM
SCHEMBL6985404 0.79 HDAC1 (0.40) F2MEN1RECQLKMT2ANR3C1
Hydrochloric Acid SCHEMBL6966635 0.77 F2 (0.55) F2ALDH1A1PKMGAA
Hydrochloric Acid SCHEMBL6974949 0.77 F2 (0.55) F2ALDH1A1PKM
SCHEMBL6983757 0.77 F2 (0.63) F2ALDH1A1PKM
Hydrochloric Acid SCHEMBL6977785 0.77 F2 (0.55) F2NTRK1NTRK2ALDH1A1PKM

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