SCHEMBL8411325

SCHEMBL8411325

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 8/20 0.38
PDCD1 Q15116 7/20 0.38
PTPN1 P18031 2/20 0.37
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
PLA2G1B P04054 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
BACE1 P56817 1/20 0.34
PTGER1 P34995 2/20 0.33
PTGER3 P43115 2/20 0.33
PTGER2 P43116 2/20 0.33
PTGER4 P35408 1/20 0.33
MEN1 O00255 1/20 0.33

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 0.90 PTPN1 (0.41) CD274PDCD1PTPN1ALDH1A1SMN1; SMN2
SCHEMBL8415409 0.90 PTPN1 (0.41) CD274PDCD1PTPN1ALDH1A1SMN1; SMN2
SCHEMBL7563015 0.87 CD274 (0.37) CD274PDCD1PTPN1ALDH1A1SMN1; SMN2
Piperazine SCHEMBL8413610 0.83 PDCD1 (0.39) CD274PDCD1PTPN1ALDH1A1SMN1; SMN2
SCHEMBL1451542 0.80 PTGER3 (0.50) CD274PDCD1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4287188 0.80 PTGER3 (0.50) CD274PDCD1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9433677 0.79 PTGER1 (0.41) CD274PDCD1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9433685 0.79 PTGER1 (0.41) CD274PDCD1ALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL9433691 0.79 PTGER3 (0.49) CD274PDCD1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL39304 0.74 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-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