SCHEMBL9016243

SCHEMBL9016243

COc1ccc(CCN(C)CC(O)COc2ccc(OCc3ccccc3)cc2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.66
MEN1 O00255 4/20 0.66
CYP1A2 P05177 3/20 0.61
CYP3A4 P08684 3/20 0.61
CYP2D6 P10635 3/20 0.61
KDM4E B2RXH2 2/20 0.61
BLM P54132 2/20 0.61
CYP2C9 P11712 2/20 0.61
ALDH1A1 P00352 2/20 0.57
SMPD1 P17405 1/20 0.51
PMP22 Q01453 1/20 0.50
BCHE P06276 1/20 0.48
KCNH2 Q12809 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL9016240 0.88 MEN1 (0.58) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL9016231 0.82 MEN1 (0.66) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL9016223 0.80 KMT2A (0.61) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL9016259 0.79 KMT2A (0.62) KMT2AMEN1CYP1A2CYP3A4CYP2D6
Methyl Alcohol SCHEMBL11168025 0.78 MEN1 (0.56) KMT2AMEN1CYP1A2CYP2D6CYP2C9
SCHEMBL27302575 0.77 KDM4E (0.61) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL9265093 0.77 KDM4E (0.61) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL9267028 0.77 KDM4E (0.61) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL6581773 0.77 KMT2A (0.56) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL10348774 0.76 ALDH1A1 (0.58) KMT2AMEN1CYP1A2CYP3A4CYP2D6

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
US-5482964-A ANTIEPILEPTIC WARNER-LAMBERT COMPANY (US) 1996-01-09 US disclosed