SCHEMBL6289749

SCHEMBL6289749

CNCCCCCCNC(=O)NC

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.54
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
PRMT1 Q99873 1/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PAOX Q6QHF9 2/20 0.40

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
SCHEMBL6285158 0.98 KEAP1 (0.55) EPHX1KEAP1NFE2L2KDM4EMAPK1
SCHEMBL6287670 0.93 KEAP1 (0.50) EPHX1KEAP1NFE2L2KDM4EMAPK1
SCHEMBL9547610 0.93 EPHX1 (0.61) EPHX1KEAP1NFE2L2KDM4EMAPK1
SCHEMBL19171946 0.93 EPHX1 (0.61) EPHX1KEAP1NFE2L2KDM4EMAPK1
SCHEMBL13466509 0.90 KEAP1 (0.61) EPHX1KEAP1NFE2L2KDM4EMAPK1
SCHEMBL19171419 0.85 EPHX1 (0.58) EPHX1KEAP1NFE2L2KDM4EMAPK1
SCHEMBL11382117 0.85 KEAP1 (0.55) EPHX1KEAP1NFE2L2KDM4EMAPK1
SCHEMBL24285430 0.84 EPHX1 (0.78) EPHX1
SCHEMBL25228539 0.84 EPHX1 (0.78) EPHX1
SCHEMBL8397082 0.84 EPHX1 (0.78) EPHX1

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-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed