SCHEMBL6286865

SCHEMBL6286865

CCNC(=O)NCC(C)NC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.40
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
EPHX2 P34913 1/20 0.32
KMT2A Q03164 1/20 0.31
ACACB O00763 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
MCL1 Q07820 1/20 0.30

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
SCHEMBL6290267 0.83 EPHX1 (0.40) EPHX1MAPTSMN1; SMN2CYP2D6CYP2C19
SCHEMBL6290142 0.82 CYP2D6 (0.36) EPHX1MAPTCYP2D6CYP2C19ALDH1A1
SCHEMBL6287479 0.80 EPHX1 (0.61) EPHX1SMN1; SMN2MMP1MMP2EPHX2
SCHEMBL965868 0.79 EPHX1 (0.59) EPHX1MAPTSMN1; SMN2CYP2D6CYP2C19
SCHEMBL6286430 0.77 EPHX1 (0.42) EPHX1MAPTSMN1; SMN2CYP2D6CYP2C19
SCHEMBL13681843 0.77 EPHX1 (0.42) EPHX1MAPTSMN1; SMN2CYP2D6CYP2C19
SCHEMBL23652165 0.76 EPHX1 (0.41) EPHX1MAPTSMN1; SMN2CYP2D6CYP2C19
SCHEMBL15592291 0.76 MEN1 (0.44) CYP2D6CYP2C19ALDH1A1MMP1MMP8
SCHEMBL6284945 0.76 EPHX1 (0.41) EPHX1MAPTSMN1; SMN2CYP2D6CYP2C19
SCHEMBL320068 0.75

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