SCHEMBL4100125

SCHEMBL4100125

Cc1ccc(Br)cc1NC(=O)c1[nH]cnc1C(=O)Nc1nc2cccc(O)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.45
KMT2A Q03164 9/20 0.44
ALDH1A1 P00352 9/20 0.44
MEN1 O00255 8/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
MAPK10 P53779 1/20 0.36
THRB P10828 1/20 0.35

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
SCHEMBL2735460 0.90 GAA (0.45) GAAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4109979 0.87 ALDH1A1 (0.44) GAAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL2735331 0.86 RAB9A (0.52) GAAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL2735386 0.86 ALDH1A1 (0.45) GAAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL215225 0.86 ALDH1A1 (0.44) GAAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL2735463 0.84 GAA (0.47) GAAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL214362 0.84 GAA (0.47) GAAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL214344 0.83 ALDH1A1 (0.40) GAAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL2735383 0.83 TOP2A (0.42) GAAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL2735380 0.83 MAPT (0.44) GAAKMT2AALDH1A1MEN1SMN1; SMN2

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-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO claimed