SCHEMBL6970167

SCHEMBL6970167

CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)nc(CCc2ccc(C#N)cc2)n3C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
PAX8 Q06710 3/20 0.50
F2 P00734 2/20 0.49
RAB9A P51151 1/20 0.48
LMNA P02545 4/20 0.48
BRPF1 P55201 4/20 0.48
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
BRD4 O60885 2/20 0.47
BRD1 O95696 2/20 0.47
BRD9 Q9H8M2 2/20 0.47
BRPF3 Q9ULD4 2/20 0.47
BRD7 Q9NPI1 1/20 0.47
PKM P14618 2/20 0.47

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
SCHEMBL6978112 0.97 F2 (0.49) SMN1; SMN2PAX8F2RAB9ALMNA
SCHEMBL6977191 0.89 F2 (0.55) SMN1; SMN2PAX8F2RAB9ALMNA
SCHEMBL6637025 0.84 PAX8 (0.64) SMN1; SMN2PAX8F2RAB9ALMNA
SCHEMBL8137693 0.84 F2 (0.56) SMN1; SMN2PAX8F2LMNABRPF1
SCHEMBL6637137 0.82 GAA (0.44) SMN1; SMN2PAX8LMNAALDH1A1MEN1
SCHEMBL6635412 0.81 F2 (0.46) SMN1; SMN2PAX8F2LMNABRPF1
SCHEMBL6978117 0.81 TSHR (0.43) F2RAB9ABRPF1ALDH1A1MEN1
SCHEMBL6634682 0.80 LMNA (0.53) SMN1; SMN2PAX8F2RAB9ALMNA
SCHEMBL6977229 0.80 TSHR (0.42) SMN1; SMN2F2RAB9ABRPF1ALDH1A1
SCHEMBL6475543 0.78 KDM4E (0.48) SMN1; SMN2F2RAB9ALMNA

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