SCHEMBL20124820

SCHEMBL20124820

CN(C)C(=O)/C=C/c1ccccc1CN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
PTGER3 P43115 7/20 0.41
PTGER2 P43116 7/20 0.41
PTGER4 P35408 5/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
TBXA2R P21731 4/20 0.40
PTGDR Q13258 4/20 0.40
NR4A2 P43354 1/20 0.39
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGER1 P34995 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IP6K1 Q92551 1/20 0.38
IP6K2 Q9UHH9 1/20 0.38
APP P05067 1/20 0.38
PTGFR P43088 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 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
SCHEMBL20124823 0.87 ALOX5 (0.44) ALOX5PTGER3PTGER2PTGER4CCNC
SCHEMBL15630767 0.81 LMNA (0.58) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL8105301 0.80 PTGER3 (0.61) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL27497043 0.80 PTPN1 (0.46) PTGER3PTGER2PTGER4CCNCCDK8
SCHEMBL8105303 0.80 PTGER3 (0.61) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL28085791 0.78 PTGER3 (0.44) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL19954281 0.76 TRPM8 (0.48) ALOX5CCNCCDK8NR4A2KDM4E
SCHEMBL3732406 0.76 TRPM8 (0.48) ALOX5CCNCCDK8NR4A2KDM4E
SCHEMBL28068832 0.75 MAPT (0.54) NPC1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL28068734 0.75 MAPT (0.54) NPC1KDM4ESMN1; SMN2MAPTLMNA

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-3008045-B1 ANTIBACTERIAL THIAZOLECARBOXYLIC ACIDS ANTABIO SAS (FR) 2018-05-09 EP disclosed