SCHEMBL14616004

SCHEMBL14616004

COc1cc(OCCN2CCOCC2)c(/C=C/C(=O)c2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1-c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 4/20 0.42
NFE2L2 Q16236 4/20 0.42
TNFRSF1A P19438 4/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AURKA O14965 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
ALOX12 P18054 1/20 0.38
HPGD P15428 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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 SCHEMBL5566529 0.99 KEAP1 (0.43) KEAP1NFE2L2TNFRSF1AKMT2AMEN1
Hydrochloric Acid SCHEMBL5566521 0.99 KEAP1 (0.43) KEAP1NFE2L2TNFRSF1AKMT2AMEN1
SCHEMBL5564347 0.88 TNFRSF1A (0.46) TNFRSF1AKMT2AMEN1LMNAGAA
SCHEMBL5564349 0.88 TNFRSF1A (0.46) TNFRSF1AKMT2AMEN1LMNAGAA
SCHEMBL14524489 0.88 KEAP1 (0.43) KEAP1NFE2L2KMT2AMEN1LMNA
SCHEMBL5560086 0.87 MEN1 (0.52) TNFRSF1AKMT2AMEN1LMNAGAA
SCHEMBL5564208 0.87 MEN1 (0.52) TNFRSF1AKMT2AMEN1LMNAGAA
SCHEMBL5564206 0.87 MEN1 (0.52) TNFRSF1AKMT2AMEN1LMNAGAA
SCHEMBL6040607 0.86 KEAP1 (0.48) KEAP1NFE2L2TNFRSF1AHPGD
SCHEMBL6040600 0.86 KEAP1 (0.48) KEAP1NFE2L2TNFRSF1AHPGD

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
US-7173129-B2 Sulfonamide-substituted chalcone derivatives and their use to treat diseases ATHERO GENICS, INC. (US) 2007-02-06 US disclosed