SCHEMBL3248486

SCHEMBL3248486

COC(=O)CCNC(=O)/C=C/c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HDAC3 O15379 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAOB P27338 1/20 0.38
PTGS2 P35354 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
PMP22 Q01453 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3248489 1.00 MEN1 (0.41) MEN1KMT2AHDAC3HDAC6MAOB
SCHEMBL3253944 0.90 SMN1; SMN2 (0.38) MEN1KMT2AHDAC3HDAC6MAOB
SCHEMBL3253941 0.90 SMN1; SMN2 (0.38) MEN1KMT2AHDAC3HDAC6MAOB
SCHEMBL4155737 0.87 MEN1 (0.43) MEN1KMT2AHDAC3HDAC6MAOB
SCHEMBL3249364 0.83 MEN1 (0.38) MEN1KMT2AHDAC3HDAC6MAPT
SCHEMBL3250563 0.83 MMP1 (0.49) MEN1KMT2AHDAC3HDAC6SMN1; SMN2
SCHEMBL3250568 0.83 MMP1 (0.49) MEN1KMT2AHDAC3HDAC6SMN1; SMN2
Propionic Acid SCHEMBL4155740 0.80 MEN1 (0.40) MEN1KMT2AHDAC3HDAC6MAPT
SCHEMBL3248903 0.79 TTR (0.45) MEN1KMT2AMAOBPTGS2MAPT
SCHEMBL3246027 0.79 TTR (0.45) MEN1KMT2AMAOBPTGS2MAPT

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
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed