SCHEMBL8415409

SCHEMBL8415409

N#Cc1c(C=CC(N)=O)cccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.41
BACE1 P56817 1/20 0.40
BCAT2 O15382 1/20 0.39
PTGER1 P34995 2/20 0.39
PTGER3 P43115 2/20 0.39
PTGER2 P43116 2/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PDCD1 Q15116 3/20 0.38
CD274 Q9NZQ7 3/20 0.38
PTGER4 P35408 1/20 0.38
EGFR P00533 1/20 0.37
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37

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
SCHEMBL8415411 1.00 PTPN1 (0.41) PTPN1BACE1BCAT2PTGER1PTGER3
Piperazine SCHEMBL8413610 0.92 PDCD1 (0.39) PTPN1BACE1BCAT2PTGER1PTGER3
SCHEMBL8411325 0.90 CD274 (0.38) PTPN1BACE1PTGER1PTGER3PTGER2
SCHEMBL7563015 0.89 CD274 (0.37) PTPN1BACE1PTGER1PTGER3PTGER2
SCHEMBL4287188 0.88 PTGER3 (0.50) BACE1PTGER1PTGER3PTGER2ALDH1A1
SCHEMBL1451542 0.88 PTGER3 (0.50) BACE1PTGER1PTGER3PTGER2ALDH1A1
SCHEMBL9433677 0.87 PTGER1 (0.41) BACE1PTGER1PTGER3PTGER2ALDH1A1
SCHEMBL9433685 0.87 PTGER1 (0.41) BACE1PTGER1PTGER3PTGER2ALDH1A1
Hydrochloric Acid SCHEMBL9433691 0.87 PTGER3 (0.49) BACE1PTGER1PTGER3PTGER2ALDH1A1
SCHEMBL3667411 0.81 BACE1 (0.55) PTPN1BACE1BCAT2PTGER1PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934256-A1 PROCESS FOR THE PRODUCTION OF CYANOCINNAMAMIDES AlliedSignal Inc. (US) 1999-08-11 EP disclosed
WO-1998016501-A1 PROCESS FOR THE PRODUCTION OF CYANOCINNAMAMIDES ALLIEDSIGNAL INC. (US) 1998-04-23 WO disclosed
US-5654465-A Process for the production of cyanocinnamamides ALLIEDSIGNAL INC. (US) 1997-08-05 US disclosed