SCHEMBL29120112

SCHEMBL29120112

N#CC(C#N)C(=O)C=Cc1ccccc1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 9/20 0.50
▸ PTGER2 P43116 8/20 0.50
▸ PTGDR Q13258 5/20 0.50
▸ TBXA2R P21731 4/20 0.50
▸ PTGER4 P35408 6/20 0.48
▸ PTGFR P43088 3/20 0.48
▸ PTGER1 P34995 3/20 0.47
▸ PTGIR P43119 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ EGFR P00533 1/20 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
SCHEMBL157606 0.79 PTGER3 (0.73) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL4776127 0.76 PTGER3 (0.57) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL28288349 0.75 PTGER3 (0.56) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL6278920 0.74 MAPT (0.53) L3MBTL1EGFR
SCHEMBL9791289 0.71 PTGER3 (0.56) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL9791294 0.71 PTGER3 (0.56) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL28229070 0.70 PTGER3 (0.42) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL28354000 0.69 PTGER3 (0.53) PTGER3PTGER2PTGDRTBXA2RPTGER4
Pyrophosphoric Acid SCHEMBL8367440 0.69 PTGER3 (0.59) PTGER3PTGER2PTGDRTBXA2RPTGER4
SCHEMBL19209982 0.68 PTGER3 (0.58) PTGER3PTGER2PTGDRTBXA2RPTGER4

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
CN-117164477-B Synthesis method of 1, n-dinitrile compound SOUTH CHINA UNIVERSITY OF TECHNOLOGY (CN) 2026-05-26 — — CN disclosed
CN-117164477-A Synthesis method of 1, n-dinitrile compound 华南理工大学 2023-12-05 — — CN disclosed
Send feedback