SCHEMBL3249364

SCHEMBL3249364

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(C=CC(=O)NCCC(=O)OC)cc3c12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TYR P14679 1/20 0.36
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL3253944 0.87 SMN1; SMN2 (0.38) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL3253941 0.87 SMN1; SMN2 (0.38) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL3254619 0.85 ALOX15 (0.44) MEN1KMT2AMAPTHPGDKDM4E
SCHEMBL3255449 0.84 TTR (0.43) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL3248489 0.83 MEN1 (0.41) MEN1KMT2AMAPTSMN1; SMN2TYR
SCHEMBL3248486 0.83 MEN1 (0.41) MEN1KMT2AMAPTSMN1; SMN2TYR
SCHEMBL4155737 0.81 MEN1 (0.43) MEN1KMT2AKDM4EALDH1A1HDAC3
SCHEMBL3255154 0.81 IP6K1 (0.39) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL3251387 0.77 POLB (0.40) MEN1KMT2AMAPTKDM4EALDH1A1
Propionic Acid SCHEMBL4155740 0.76 MEN1 (0.40) MEN1KMT2AMAPTSMN1; SMN2TYR

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 1 patent. 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