SCHEMBL13639545

SCHEMBL13639545

Cc1cc(OCc2cccnc2)cc(-c2nc3cccnc3[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.52
DHODH Q02127 1/20 0.49
MAOA P21397 1/20 0.43
DYRK1A Q13627 1/20 0.43
HCRTR1 O43613 1/20 0.43
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
GRM2 Q14416 1/20 0.40
IKBKB O14920 1/20 0.39
PRMT5 O14744 2/20 0.39
GCK P35557 1/20 0.39
MAPK1 P28482 2/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL10206642 0.89 MAPK1 (0.47) DHODHKDM4ENPC1ALDH1A1HPGD
SCHEMBL10206659 0.86 DHODH (0.41) GRM5DHODHMAOADYRK1AHCRTR1
SCHEMBL2668141 0.85 DHODH (0.41) GRM5DHODHMAOADYRK1AHCRTR1
SCHEMBL10206641 0.83 PRMT5 (0.51) DHODHPRMT5MAPK1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL711040 0.81 DHODH (0.45) DHODHHCRTR1RAB9APRMT5MAPK1
Trifluoroacetic Acid SCHEMBL709569 0.79 DHODH (0.43) DHODHHCRTR1HPGDGCKGPR132
SCHEMBL709496 0.77 PRMT5 (0.44) PRMT5GCK
SCHEMBL10206644 0.77 PRMT5 (0.46) DHODHPRMT5MAPK1
SCHEMBL10206658 0.77 NOS3 (0.38) DHODHIKBKBPRMT5GCK
SCHEMBL711044 0.76 GCK (0.46) KDM4ENPC1ALDH1A1HPGDRAB9A

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-1940837-B1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2012-11-07 EP disclosed