SCHEMBL8837423

SCHEMBL8837423

Cc1cccc(/C=C/C(N)=O)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PTPN1 P18031 2/20 0.36
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ IAPP P10997 2/20 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
▸ LMNA P02545 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ PELI1 Q96FA3 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL8837424 1.00 CYP1A2 (0.38) CYP1A2CYP2C19PTPN1CCNCCDK8
SCHEMBL30560977 0.78 PTPN1 (0.40) PTPN1CCNCCDK8IAPPPTGER1
SCHEMBL1124329 0.78 ALDH1A1 (0.48) CYP1A2PTPN1CCNCCDK8LMNA
SCHEMBL28358892 0.78 ALDH1A1 (0.48) CYP1A2PTPN1CCNCCDK8LMNA
SCHEMBL1124331 0.78 ALDH1A1 (0.48) CYP1A2PTPN1CCNCCDK8LMNA
SCHEMBL30560932 0.78 ALDH1A1 (0.48) CYP1A2PTPN1CCNCCDK8LMNA
SCHEMBL8415411 0.78 PTPN1 (0.41) PTPN1CCNCCDK8PTGER1PTGER4
SCHEMBL8415409 0.78 PTPN1 (0.41) PTPN1CCNCCDK8PTGER1PTGER4
SCHEMBL28229070 0.77 PTGER3 (0.42) PTPN1PTGER1PTGER4PTGER3PTGER2
SCHEMBL17095076 0.77 CD44 (0.41) PTPN1CCNCCDK8IAPPPTGER1

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
US-5654465-A Process for the production of cyanocinnamamides ALLIEDSIGNAL INC. (US) 1997-08-05 — — US disclosed
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