SCHEMBL9550360

SCHEMBL9550360

N#Cn1c(=O)c2cc3c(=O)n(C#N)c(=O)c3cc2c1=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL9550385 0.77 MAPK1 (0.46) ALDH1A1KDM4E
SCHEMBL12660971 0.73
SCHEMBL16004444 0.65 CTSL (0.30)
SCHEMBL12895974 0.64 KDM4E (0.41) ALDH1A1KDM4E
SCHEMBL43657 0.61 KDM4E (0.41) ALDH1A1KDM4EPOLBGAA
SCHEMBL12310076 0.61 ALDH1A1 (0.36) ALDH1A1KDM4EPOLBGAA
SCHEMBL17789200 0.59 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBGAA
SCHEMBL6675514 0.57 CA12 (0.65) ALDH1A1KDM4EPOLBGAA
SCHEMBL18289461 0.56 ALDH1A1 (0.37) ALDH1A1KDM4EPOLBGAA
SCHEMBL8952866 0.53

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
US-5216173-A Curing agents for epoxy resins; polyimides HENKEL RESEARCH CORPORATION (US) 1993-06-01 US disclosed
WO-1991001307-A2 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1991-02-07 WO disclosed