SCHEMBL8367657

SCHEMBL8367657

CCn1c(C)ccc(NS(C)(=O)=O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.43
F2 P00734 13/20 0.41
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
PRSS1 P07477 7/20 0.37
METAP2 P50579 1/20 0.37
MAPT P10636 1/20 0.37
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
ELANE P08246 1/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL5855741 0.74 F2 (0.48) F2PRSS1PRSS2PRSS3ELANE
SCHEMBL12125050 0.69 KDM4E (0.43) MAPT
SCHEMBL6760708 0.66
SCHEMBL13869172 0.63 CYP19A1 (0.47) PKMKEAP1NFE2L2MAPT
SCHEMBL2760277 0.62 MAPT (0.55) KEAP1NFE2L2METAP2MAPT
SCHEMBL1474470 0.61 ADRB3 (0.43) KEAP1NFE2L2MAPT
SCHEMBL13303941 0.61 PTGS1 (0.47) KEAP1NFE2L2
SCHEMBL24481325 0.60 MAPT (0.41) KEAP1NFE2L2MAPT
SCHEMBL2068498 0.60 KEAP1 (0.65) KEAP1NFE2L2
SCHEMBL29904739 0.60 KEAP1 (0.65) KEAP1NFE2L2

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
WO-2003048155-A1 THROMBIN INHIBITORS UNIVERSITY OF LJUBLJANA (SI) 2003-06-12 WO disclosed