SCHEMBL5196465

SCHEMBL5196465

CCNc1ccsc1CC(=O)COS(C)(=O)=O

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.31
MAPK10 P53779 2/20 0.31
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KDM6B O15054 1/20 0.30
KDM4A O75164 1/20 0.30
KDM5C P41229 1/20 0.30
KDM4D Q6B0I6 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
SLCO1B1 Q9Y6L6 1/20 0.30
MAPK9 P45984 1/20 0.30
ABCC1 P33527 1/20 0.30

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
SCHEMBL5198536 0.86 MAPK8 (0.32) MAPK8MAPK10MAPK9
SCHEMBL23616663 0.76 KMT2A (0.38) MAPK8MAPK10PKMMAPK9ABCC1
SCHEMBL6691461 0.63 ALDH1A1 (0.36) PKMABCC1
SCHEMBL9410725 0.63 NPC1 (0.59) MAPK8MAPK10PKMKDM4EMAPK9
SCHEMBL7354141 0.63 USP2 (0.46) KDM4E
SCHEMBL6580043 0.62 TDP1 (0.43) KDM4E
SCHEMBL5196821 0.60 FFAR1 (0.48)
SCHEMBL5197745 0.60 JAK3 (0.39)
SCHEMBL5196658 0.59 MAPK8 (0.39) MAPK8MAPK10KDM4EKDM6BKDM4A
SCHEMBL5283509 0.59 ALOX5 (0.40) KDM4EKDM6BKDM4AKDM5CKDM4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1868983-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS LONZA AG (CH) 2007-12-26 EP disclosed
WO-2006087166-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS LONZA AG (CH) 2006-08-24 WO disclosed