SCHEMBL9016259

SCHEMBL9016259

COc1ccc(CCN(C)CC(O)COc2cccc3ccccc23)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
ADRB2 P07550 4/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50

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
SCHEMBL9016218 0.86 POLB (0.55) KMT2AMEN1ALDH1A1ADRB2
SCHEMBL9016236 0.82 KMT2A (0.55) KMT2AMEN1KDM4EALDH1A1CYP1A2
SCHEMBL9330544 0.81 DRD4 (0.52) KMT2AMEN1KDM4EALDH1A1ADRB2
SCHEMBL9016231 0.80 MEN1 (0.66) KMT2AMEN1KDM4EALDH1A1ADRB2
SCHEMBL9333099 0.79 ABCB1 (0.54) KMT2AMEN1KDM4EALDH1A1ADRB2
SCHEMBL9016243 0.79 KMT2A (0.66) KMT2AMEN1KDM4EALDH1A1CYP1A2
SCHEMBL8859222 0.78 ADRB2 (0.69) KMT2AMEN1KDM4EALDH1A1ADRB2
SCHEMBL9327600 0.77 CYP1A2 (0.62) KMT2AMEN1KDM4EALDH1A1ADRB2
SCHEMBL9338830 0.77 CYP1A2 (0.56) KMT2AMEN1KDM4EALDH1A1ADRB2
SCHEMBL6581773 0.77 KMT2A (0.56) KMT2AMEN1KDM4EALDH1A1CYP1A2

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