SCHEMBL2668141

SCHEMBL2668141

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.41
GPR132 Q9UNW8 6/20 0.39
ACACB O00763 1/20 0.39
HCRTR1 O43613 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOA P21397 1/20 0.38
DYRK1A Q13627 1/20 0.38
MAPK1 P28482 1/20 0.38
GRM2 Q14416 1/20 0.38
GRM5 P41594 1/20 0.37
ADAMTS4 O75173 1/20 0.37
IKBKB O14920 1/20 0.37
MMP13 P45452 1/20 0.37
PRMT5 O14744 1/20 0.37

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
SCHEMBL10206659 0.87 DHODH (0.41) DHODHGPR132ACACBHCRTR1KDM4E
SCHEMBL13639545 0.85 GRM5 (0.52) DHODHGPR132HCRTR1KDM4ENPC1
SCHEMBL10206642 0.85 MAPK1 (0.47) DHODHKDM4ENPC1ALDH1A1HPGD
SCHEMBL10206641 0.79 PRMT5 (0.51) DHODHMAPK1PRMT5
SCHEMBL2668123 0.79 GCK (0.42) DHODHPRMT5
Trifluoroacetic Acid SCHEMBL709569 0.79 DHODH (0.43) DHODHGPR132ACACBHCRTR1HPGD
SCHEMBL709496 0.78 PRMT5 (0.44) PRMT5
Trifluoroacetic Acid SCHEMBL711040 0.78 DHODH (0.45) DHODHGPR132HCRTR1RAB9AMAPK1
SCHEMBL10206658 0.78 NOS3 (0.38) DHODHIKBKBPRMT5
SCHEMBL711044 0.77 GCK (0.46) KDM4ENPC1ALDH1A1HPGDHTT

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
WO-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 WO disclosed