SCHEMBL4801331

SCHEMBL4801331

Cc1ccc(NC2CCOCC2)c(N)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
IRAK4 Q9NWZ3 3/20 0.44
ALOX15 P16050 3/20 0.42
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
SYK P43405 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAK O14976 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
APP P05067 1/20 0.36
PIK3CA P42336 1/20 0.36
BACE1 P56817 1/20 0.36
PDE10A Q9Y233 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
SCHEMBL27638103 0.88 ALOX15 (0.47) ALOX15KDM4EGAAMAPTTDP1
SCHEMBL4801338 0.87 MAPK1 (0.45) MAPK1IRAK4ALOX15KDM4EGAA
SCHEMBL14051378 0.83 MAPT (0.59) ALOX15KDM4EGAAMAPTTDP1
SCHEMBL29791971 0.81 AAK1 (0.44) MAPK1IRAK4ALOX15KDM4EGAA
SCHEMBL2687892 0.81 AAK1 (0.44) MAPK1IRAK4ALOX15KDM4EGAA
SCHEMBL169734 0.81 MAPK1 (0.45) MAPK1IRAK4SYKSMN1; SMN2BACE1
SCHEMBL17675692 0.81 MAPK1 (0.45) MAPK1IRAK4ALOX15KDM4EGAA
SCHEMBL171321 0.81 MAPK1 (0.45) MAPK1IRAK4SYKSMN1; SMN2
SCHEMBL15830061 0.79 MAPK1 (0.46) MAPK1IRAK4SYKSMN1; SMN2ALDH1A1
SCHEMBL7178365 0.77 KDM4E (0.47) MAPK1IRAK4ALOX15KDM4EGAA

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-2008084218-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO disclosed