SCHEMBL2145819

SCHEMBL2145819

CCc1c(NC(=O)Nc2ccc(Cn3cnc(O)c3C(N)=O)cc2)cccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
PKM P14618 1/20 0.41
CCR3 P51677 1/20 0.41
MAPT P10636 4/20 0.40
NR1I2 O75469 1/20 0.40
RECQL P46063 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
POLB P06746 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2145339 0.89 NR1I2 (0.46) KDM4EMEN1KMT2APKMMAPT
SCHEMBL2145497 0.83 RAB9A (0.49) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL2145157 0.83 NR1I2 (0.39) MEN1KMT2APKMNR1I2ITGB1
SCHEMBL2145641 0.82 RAB9A (0.46) KDM4EMEN1KMT2APKMMAPT
SCHEMBL2145806 0.82 CA12 (0.52) KDM4EMEN1KMT2APKMMAPT
SCHEMBL2145359 0.81 MEN1 (0.44) MEN1KMT2APKMNR1I2ITGB1
SCHEMBL2145513 0.81 NR1I2 (0.58) KDM4EMEN1KMT2AMAPTNR1I2
SCHEMBL2145236 0.80 POLB (0.54) KDM4EMEN1KMT2AMAPTNR1I2
SCHEMBL2145257 0.80 NAMPT (0.42) KDM4EMEN1KMT2ANR1I2POLB
SCHEMBL2145580 0.79 RAB9A (0.56) KDM4EMEN1KMT2AMAPTNPC1

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