SCHEMBL6977229

SCHEMBL6977229

CCOC(=O)c1ccc(S(=O)(=O)N(CCN(CC)CC)c2ccc3c(c2)nc(CCc2ccc(C#N)cc2)n3C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
F2 P00734 4/20 0.41
GAA P10253 1/20 0.40
ALDH1A1 P00352 3/20 0.40
PKM P14618 1/20 0.40
HCRTR2 O43614 1/20 0.39
CNR2 P34972 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.35
BRD1 O95696 1/20 0.35

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 SCHEMBL6969224 0.88 F2 (0.52) TSHRF2GAAALDH1A1PKM
SCHEMBL6980944 0.87 F2 (0.44) F2GAAALDH1A1PKMMEN1
SCHEMBL6978117 0.86 TSHR (0.43) TSHRF2GAAALDH1A1PKM
SCHEMBL6972029 0.82 F2 (0.40) F2GAAALDH1A1PKMHTT
SCHEMBL6635417 0.81 F2 (0.47) TSHRF2GAAALDH1A1PKM
SCHEMBL6970167 0.80 SMN1; SMN2 (0.51) F2ALDH1A1PKMNPSR1HTT
SCHEMBL6974208 0.79 BMP1 (0.45) F2ALDH1A1PKMCNR2SMN1; SMN2
Hydrochloric Acid SCHEMBL6969452 0.79 F2 (0.48) F2GAAALDH1A1PKMNPSR1
SCHEMBL6637141 0.78 F2 (0.43) TSHRF2GAAALDH1A1PKM
Hydrochloric Acid SCHEMBL6969834 0.78 F2 (0.54) F2GAAALDH1A1PKMMEN1

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