SCHEMBL9016236

SCHEMBL9016236

COc1ccc(CCN(C)CC(O)CSc2cccc3ccccc23)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 3/20 0.51
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
BLM P54132 2/20 0.49
PMP22 Q01453 1/20 0.49
SMPD1 P17405 4/20 0.47
ATM Q13315 1/20 0.46
CYP2C9 P11712 1/20 0.44
AOC3 Q16853 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL9016255 0.86 L3MBTL1 (0.52) KMT2AKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL9016259 0.82 KMT2A (0.62) KMT2AKDM4EALDH1A1MEN1CYP1A2
SCHEMBL9016231 0.71 MEN1 (0.66) KMT2AKDM4EALDH1A1MEN1CYP1A2
SCHEMBL9212854 0.71 CYP3A4 (0.76) KMT2AKDM4EALDH1A1MEN1CYP1A2
SCHEMBL9016243 0.70 KMT2A (0.66) KMT2AKDM4EALDH1A1MEN1CYP1A2
SCHEMBL23391645 0.70 BACE1 (0.45) KMT2AKDM4EALDH1A1MEN1CYP1A2
SCHEMBL29715998 0.70 BACE1 (0.45) KMT2AKDM4EALDH1A1MEN1CYP1A2
SCHEMBL7430428 0.70 CYP1A2 (1.00) KMT2AKDM4EALDH1A1MEN1CYP1A2
SCHEMBL1586895 0.70 NPC1 (0.62) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL30465890 0.70 NPC1 (0.62) 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