SCHEMBL28004341

SCHEMBL28004341

CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCC[C@H]3C)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 3/20 0.57
HSD17B10 Q99714 2/20 0.57
HPGD P15428 1/20 0.57
AKR1C3 P42330 2/20 0.54
USP2 O75604 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
MAPK1 P28482 2/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50

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
SCHEMBL28004287 1.00 MAPT (0.57) MAPTKMT2AALDH1A1MEN1HSD17B10
SCHEMBL999789 0.97 MAPT (0.61) MAPTKMT2AALDH1A1MEN1HSD17B10
SCHEMBL1001481 0.88 KMT2A (0.56) MAPTKMT2AALDH1A1MEN1HSD17B10
SCHEMBL1001743 0.88 KMT2A (0.56) MAPTKMT2AALDH1A1MEN1HSD17B10
SCHEMBL999690 0.88 POLB (0.54) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL28004746 0.87 KMT2A (0.53) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL1000590 0.87 KMT2A (0.51) MAPTKMT2AALDH1A1MEN1HSD17B10
SCHEMBL1002268 0.85 MAPT (0.55) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL1000614 0.83 L3MBTL1 (0.76) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL1000582 0.82 L3MBTL1 (0.59) MAPTKMT2AALDH1A1MEN1L3MBTL1

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
CN-104352492-A Long-chain fatty acyl elongase inhibitor comprising arylsulfonyl derivative as active ingredient MSD KK 2015-02-18 CN disclosed