SCHEMBL9080552

SCHEMBL9080552

CCOc1ccccc1CNCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.76
KDM4E B2RXH2 3/20 0.76
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
SMN1; SMN2 Q16637 2/20 0.58
HTT P42858 1/20 0.58
MAPK1 P28482 1/20 0.58
BCHE P06276 3/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.48
ROCK1 Q13464 1/20 0.48
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL9081633 0.93 ALDH1A1 (0.66) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9081613 0.92 MEN1 (0.65) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5947311 0.89 BCHE (0.64) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9080709 0.88 KDM4E (0.60) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9079986 0.88 MAPK1 (0.70) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9081356 0.86 KDM4E (1.00) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL30877044 0.84 MAPK1 (0.77) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL27312115 0.84 MAPK1 (0.77) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL8809177 0.80 ALDH1A1 (0.79) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9080427 0.80 KDM4E (0.85) ALDH1A1KDM4EMEN1KMT2ASMN1; 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 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