SCHEMBL4801338

SCHEMBL4801338

Cc1ccc(N)c(NC2CCOCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
IRAK4 Q9NWZ3 3/20 0.44
HDAC1 Q13547 6/20 0.40
HDAC2 Q92769 6/20 0.40
HDAC3 O15379 5/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
GAK O14976 1/20 0.39
SYK P43405 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PIK3CA P42336 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
SCHEMBL30657543 0.88 KDM4E (0.46) MAPK1IRAK4KDM4EGAAMAPT
SCHEMBL20345722 0.88 KDM4E (0.46) MAPK1IRAK4KDM4EGAAMAPT
SCHEMBL4801331 0.87 MAPK1 (0.45) MAPK1IRAK4KDM4EGAAMAPT
SCHEMBL1341748 0.85 KDM4E (0.56) KDM4EGAAMAPTTP53CYP3A4
SCHEMBL27276326 0.85 KDM4E (0.51) MAPK1KDM4EGAAMAPTTP53
SCHEMBL2361893 0.83 KDM4E (0.59) KDM4EGAAMAPTTP53CYP3A4
SCHEMBL18960381 0.83 TDP1 (0.41) MAPK1HDAC1HDAC2HDAC3KDM4E
SCHEMBL15830061 0.82 MAPK1 (0.46) MAPK1IRAK4SYKSMN1; SMN2PDE10A
SCHEMBL12928092 0.81 KDM4E (0.40) MAPK1HDAC1HDAC2HDAC3KDM4E
SCHEMBL1519326 0.81 KDM1A (0.41) MAPK1IRAK4HDAC1HDAC2HDAC3

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