SCHEMBL9079986

SCHEMBL9079986

CCOc1ccccc1CNCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.70
KDM4E B2RXH2 3/20 0.66
ALDH1A1 P00352 4/20 0.58
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
LTA4H P09960 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.50
POLB P06746 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
EPHX2 P34913 1/20 0.49
BCHE P06276 1/20 0.46

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
SCHEMBL27312115 0.88 MAPK1 (0.77) MAPK1KDM4EALDH1A1KMT2AMEN1
SCHEMBL30877044 0.88 MAPK1 (0.77) MAPK1KDM4EALDH1A1KMT2AMEN1
SCHEMBL9080552 0.88 ALDH1A1 (0.76) MAPK1KDM4EALDH1A1KMT2AMEN1
SCHEMBL9080546 0.86 KDM4E (0.61) MAPK1KDM4EALDH1A1KMT2AMEN1
SCHEMBL9080058 0.85 LTA4H (0.55) MAPK1KDM4EALDH1A1KMT2AMEN1
SCHEMBL9080543 0.85 KDM4E (0.77) KDM4EALDH1A1KMT2AMEN1HTT
SCHEMBL27313687 0.85 MAPK1 (0.78) MAPK1KDM4EALDH1A1KMT2AMEN1
SCHEMBL9081633 0.83 ALDH1A1 (0.66) MAPK1KDM4EALDH1A1KMT2AMEN1
SCHEMBL9081570 0.83 KDM4E (0.52) MAPK1KDM4EALDH1A1KMT2AMEN1
SCHEMBL9033719 0.83 MAPK1 (0.73) MAPK1KDM4EALDH1A1KMT2AMEN1

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-1996034851-A1 BENZENE, PYRIDINE, NAPHTALENE OR BENZOPHENONE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 WO disclosed