SCHEMBL2145339

SCHEMBL2145339

NC(=O)c1c(O)ncn1Cc1ccc(NC(=O)Nc2ccccc2C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.46
KDM4E B2RXH2 6/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 1/20 0.46
NFKB1 P19838 1/20 0.46
GFER P55789 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 3/20 0.45
DHODH Q02127 1/20 0.45
MAPK14 Q16539 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
RECQL P46063 1/20 0.42
CFD P00746 1/20 0.41

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
SCHEMBL2145641 0.89 RAB9A (0.46) NR1I2KDM4EMEN1KMT2AMAPT
SCHEMBL2145819 0.89 KDM4E (0.41) NR1I2KDM4EMEN1KMT2AMAPT
SCHEMBL2145513 0.88 NR1I2 (0.58) NR1I2KDM4EMEN1KMT2AMAPT
SCHEMBL2145806 0.87 CA12 (0.52) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL2145359 0.86 MEN1 (0.44) NR1I2MEN1KMT2APKMITGB1
SCHEMBL2145236 0.85 POLB (0.54) NR1I2KDM4EMEN1KMT2AMAPT
SCHEMBL2145305 0.84 KDM4E (0.51) NR1I2KDM4EMEN1KMT2ANPC1
SCHEMBL2145580 0.84 RAB9A (0.56) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL2145865 0.82 MEN1 (0.43) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL2145257 0.82 NAMPT (0.42) NR1I2KDM4EMEN1KMT2AALDH1A1

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-2040702-B1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GMBH (DE) 2011-07-27 EP claimed