SCHEMBL10974064

SCHEMBL10974064

C=CCC(C(N)=O)(C(=O)OCC)C(F)F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.31
MMP8 P22894 1/20 0.30
PKM P14618 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
SCHEMBL10976716 0.84 MEN1 (0.33) MEN1KMT2AMAPK1MMP8PKM
SCHEMBL10972813 0.82 MAPT (0.37) MEN1KMT2AMAPK1MMP8PKM
SCHEMBL8847820 0.78 MMP8 (0.38) ALOX15MEN1KMT2AMAPK1HTT
SCHEMBL10975865 0.78 MAPK1 (0.33) ALOX15MEN1KMT2AMAPK1MMP8
SCHEMBL1885876 0.76 MMP8 (0.36) MEN1KMT2AMAPK1HTTMMP8
SCHEMBL15992227 0.74 ALOX15 (0.38) ALOX15MEN1KMT2AMAPK1HTT
SCHEMBL11678264 0.73 MMP8 (0.34) MEN1KMT2AMMP8PKM
SCHEMBL25979049 0.73 MEN1 (0.44) MEN1KMT2AHTTMMP8PKM
SCHEMBL8705908 0.72 MEN1 (0.36) MEN1KMT2AMMP8PKM
SCHEMBL8378912 0.71 ALOX15 (0.38) ALOX15MEN1KMT2AMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0046713-B1 FLUORINATED PENTENE DIAMINE DERIVATIVES MERRELL TORAUDE ET COMPAGNIE (FR) 1985-12-27 EP disclosed
US-4439619-A Fluorinated pentene diamine derivatives MERRELL TORAUDE ET COMPAGNIE (FR) 1984-03-27 US disclosed
EP-0046713-A1 Fluorinated pentene diamine derivatives MERRELL TORAUDE ET COMPAGNIE (FR) 1982-03-03 EP disclosed