SCHEMBL9720684

SCHEMBL9720684

COc1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1O

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.60
MAPT P10636 4/20 0.60
POLB P06746 1/20 0.60
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ATM Q13315 1/20 0.58
TP53 P04637 1/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
MAPK1 P28482 1/20 0.53
OPRD1 P41143 1/20 0.53

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
SCHEMBL9720718 0.88 TRPV6 (0.58) GAAMAPTKDM4EALDH1A1ATM
SCHEMBL14825427 0.80 ATM (0.58) ALDH1A1ATMKMT2AMEN1
SCHEMBL10514806 0.80 ATM (0.58) GAASMN1; SMN2ATMKMT2AMEN1
SCHEMBL14825426 0.78 ATM (0.56) ALDH1A1ATMKMT2AMEN1OPRD1
SCHEMBL1152689 0.77 LMNA (0.55) GAAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL1152693 0.77 LMNA (0.55) GAAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7311276 0.77 ATM (0.84) GAAKDM4ESMN1; SMN2ATMKMT2A
Belarizine SCHEMBL2108057 0.76 ATM (0.73) MAPTKDM4EALDH1A1ATMKMT2A
SCHEMBL9720726 0.76 KDM4E (0.79) GAAMAPTKDM4EALDH1A1TDP1
SCHEMBL9720716 0.76 OPRD1 (0.70) GAASMN1; SMN2ATMKMT2AMEN1

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-5142052-A Cationic effect-driven carbinol/amine reaction LABORATOIRES SYNTEX (FR) 1992-08-25 US disclosed