SCHEMBL6570467

SCHEMBL6570467

CCS(=O)(=O)Nc1cccc(C(N)=O)c1-c1cc(NC(=O)c2cccc(N(C)C)c2)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 3/20 0.49
BRAF P15056 2/20 0.49
ALOX15 P16050 2/20 0.49
HSD17B10 Q99714 2/20 0.49
RAF1 P04049 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK11 Q15759 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
SMO Q99835 2/20 0.46
BTK Q06187 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL6570486 0.81 MAPK14 (0.51) MAPK14BRAFRAF1SMO
SCHEMBL6532402 0.78 MAPK14 (0.67) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL27497710 0.73 MAPK14 (0.46) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL27515238 0.73 MAPK14 (0.44) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL13198146 0.72 MAPK14 (0.61) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL13198153 0.71 MAPK14 (0.55) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL5897054 0.71 MAPK14 (0.65) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL13198161 0.70 MAPK14 (0.53) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL13198154 0.70 MAPK14 (0.61) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL13198140 0.70 NR1H4 (0.64) MAPK14KDM4EALDH1A1MAPTHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077931-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-17 EP disclosed