SCHEMBL2668261

SCHEMBL2668261

CC(C)Cc1cc(OCc2ccccc2)cc(C(=O)O)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
NR4A2 P43354 3/20 0.58
NR4A1 P22736 1/20 0.55
NR4A3 Q92570 1/20 0.55
MRGPRX4 Q96LA9 8/20 0.53
MAOB P27338 2/20 0.52
SRD5A2 P31213 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 2/20 0.50
PKM P14618 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
GCK P35557 1/20 0.49
PLA2G4B P0C869 1/20 0.49

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
SCHEMBL2319276 0.88 LMNA (0.58) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL27812422 0.85 MEN1 (0.68) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL13228336 0.84 MAOB (0.53) MEN1KMT2AMAOBSMN1; SMN2RAB9A
SCHEMBL862870 0.83 MEN1 (0.93) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL1426961 0.83 MEN1 (1.00) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL15580330 0.83 MEN1 (0.47) MEN1KMT2ANR4A2MAOBGCK
SCHEMBL10200052 0.82 MEN1 (0.79) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL11693918 0.82 MEN1 (0.60) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL2666120 0.82 MEN1 (0.73) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL9368673 0.82 MRGPRX4 (0.69) NR4A2MRGPRX4SMN1; SMN2TP53PKM

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-1940837-B1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2012-11-07 EP disclosed
WO-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 WO disclosed