SCHEMBL6355620

SCHEMBL6355620

CCC(C(=O)O)=C(C#N)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AGPAT2 O15120 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
S1PR4 O95977 1/20 0.38
PKM P14618 1/20 0.38
FTO Q9C0B1 1/20 0.38

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
SCHEMBL14472215 1.00 MEN1 (0.51) MEN1KMT2AHTTSMN1; SMN2AGPAT2
SCHEMBL2135901 0.84 MEN1 (0.50) MEN1KMT2AHTTSMN1; SMN2AGPAT2
SCHEMBL6358945 0.82 ALDH1A1 (0.56) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL14472260 0.82 ALDH1A1 (0.56) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL4946316 0.78 MEN1 (0.57) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL3063301 0.78 MEN1 (0.54) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL30370342 0.78 MEN1 (0.57) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL13078465 0.77 MEN1 (0.56) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL14472204 0.75 ERCC5 (0.52) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL6363328 0.75 ERCC5 (0.52) MEN1KMT2AHTTSMN1; SMN2KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242774-B2 SELF-REPAIRING COMPOSITION, SELF-REPAIRING MATERIALS, SELF-REPAIRING METHODS AND APPLICATIONS CATALYSE (FR) 2018-09-26 EP claimed
EP-2242774-B1 SELF-REPAIRING COMPOSITION, SELF-REPAIRING MATERIALS, SELF-REPAIRING METHODS AND APPLICATIONS CATALYSE (FR) 2013-01-09 EP claimed
US-20120202912-A1 SURFACE TREATMENT BY PHOTOPOLYMERISATION TO OBTAIN BIOCIDAL PROPERTIES DESARROLLO DEL GRAFTING S.L. (ES) 2012-08-09 US disclosed
US-20050095266-A1 Surface treatment by photopolymerisation to obtain biocidal properties DESARROLLO DEL GRAFTING S.L. (ES) 2005-05-05 US disclosed