SCHEMBL7563015

SCHEMBL7563015

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 9/20 0.37
PDCD1 Q15116 8/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
BACE1 P56817 1/20 0.36
PTPN1 P18031 2/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
PLA2G2A P14555 1/20 0.34

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
SCHEMBL8415409 0.89 PTPN1 (0.41) CD274PDCD1ALDH1A1SMN1; SMN2BACE1
SCHEMBL8415411 0.89 PTPN1 (0.41) CD274PDCD1ALDH1A1SMN1; SMN2BACE1
SCHEMBL8411325 0.87 CD274 (0.38) CD274PDCD1ALDH1A1SMN1; SMN2BACE1
Piperazine SCHEMBL8413610 0.82 PDCD1 (0.39) CD274PDCD1ALDH1A1SMN1; SMN2BACE1
SCHEMBL1451542 0.79 PTGER3 (0.50) CD274PDCD1ALDH1A1SMN1; SMN2BACE1
SCHEMBL4287188 0.79 PTGER3 (0.50) CD274PDCD1ALDH1A1SMN1; SMN2BACE1
Hydrochloric Acid SCHEMBL9433691 0.78 PTGER3 (0.49) CD274PDCD1ALDH1A1SMN1; SMN2BACE1
SCHEMBL9433677 0.78 PTGER1 (0.41) CD274PDCD1ALDH1A1SMN1; SMN2BACE1
SCHEMBL9433685 0.78 PTGER1 (0.41) CD274PDCD1ALDH1A1SMN1; SMN2BACE1
SCHEMBL39304 0.75 ALDH1A1 (0.48) CD274PDCD1ALDH1A1SMN1; SMN2KDM4E

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-0934256-B1 PROCESS FOR THE PRODUCTION OF CYANOCINNAMAMIDES HONEYWELL INT INC (US) 2002-08-21 EP disclosed
US-5654465-A Process for the production of cyanocinnamamides ALLIEDSIGNAL INC. (US) 1997-08-05 US disclosed