SCHEMBL3860044

SCHEMBL3860044

C=CCS(=O)(=O)Nc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.56
RECQL P46063 2/20 0.53
ALDH1A1 P00352 6/20 0.48
HSD17B10 Q99714 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 3/20 0.47
BCHE P06276 1/20 0.42
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MCL1 Q07820 1/20 0.40
HTT P42858 1/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40

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
SCHEMBL6468746 0.80 KDM4E (0.51) ALDH1A1HSD17B10KDM4EKMT2AMEN1
SCHEMBL2128507 0.80 KEAP1 (0.68) KEAP1RECQLALDH1A1HSD17B10KDM4E
SCHEMBL11136620 0.77 PSIP1 (0.39) ALDH1A1HSD17B10KDM4EHPGDKMT2A
SCHEMBL21624555 0.77 PSIP1 (0.64) ALDH1A1MAPTGAALMNAHTT
SCHEMBL6420978 0.77 PSIP1 (0.39) ALDH1A1HSD17B10KDM4EHPGDKMT2A
SCHEMBL16301364 0.77 ALDH1A1 (0.45) KEAP1ALDH1A1MAPTL3MBTL1HTT
SCHEMBL6006407 0.76 KEAP1 (0.54) KEAP1RECQLALDH1A1HSD17B10KDM4E
SCHEMBL7441407 0.75 KEAP1 (0.67) KEAP1RECQLALDH1A1HSD17B10KDM4E
SCHEMBL28028822 0.75 GLO1 (0.62) KEAP1RECQLALDH1A1HSD17B10KDM4E
SCHEMBL10808948 0.75 KEAP1 (0.57) KEAP1RECQLALDH1A1HSD17B10KDM4E

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-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP claimed