SCHEMBL6287670

SCHEMBL6287670

CNCCCNC(=O)NC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
EPHX1 P07099 8/20 0.44
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
PRMT1 Q99873 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
MTNR1A P48039 1/20 0.37
KDM1A O60341 1/20 0.35
KISS1R Q969F8 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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 0.95 KEAP1 (0.55) KEAP1NFE2L2EPHX1KDM4EMAPK1
SCHEMBL6289749 0.93 EPHX1 (0.54) KEAP1NFE2L2EPHX1KDM4EMAPK1
SCHEMBL11382117 0.92 KEAP1 (0.55) KEAP1NFE2L2EPHX1KDM4EMAPK1
SCHEMBL11231320 0.90 EPHX1 (0.54) KEAP1NFE2L2EPHX1KDM4EMAPK1
SCHEMBL13466509 0.87 KEAP1 (0.61) KEAP1NFE2L2EPHX1KDM4EMAPK1
SCHEMBL6286750 0.85 KEAP1 (0.43) KEAP1NFE2L2EPHX1HSD17B10
SCHEMBL9547610 0.84 EPHX1 (0.61) KEAP1NFE2L2EPHX1KDM4EMAPK1
SCHEMBL4545267 0.84
SCHEMBL19171946 0.84 EPHX1 (0.61) KEAP1NFE2L2EPHX1KDM4EMAPK1
SCHEMBL12522322 0.83 KDM4E (0.61) KEAP1NFE2L2EPHX1KDM4EMAPK1

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