SCHEMBL6989677

SCHEMBL6989677

COc1ccc2c(c1)CCNC2Cc1ccc(O)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 2/20 0.60
MAPT P10636 2/20 0.60
PKM P14618 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
ABL1 P00519 1/20 0.56
ALPL P05186 1/20 0.56
GAA P10253 1/20 0.56
RIN1 Q13671 1/20 0.56
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
ADRB3 P13945 1/20 0.54
DRD1 P21728 1/20 0.54
TBXA2R P21731 1/20 0.54
PTGS1 P23219 1/20 0.54

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
SCHEMBL10348908 0.91 MEN1 (0.69) MEN1KMT2AKDM4EMAPTPKM
SCHEMBL10349425 0.90 KDM4E (0.73) MEN1KMT2AKDM4EMAPTPKM
SCHEMBL16627028 0.88 MEN1 (0.59) MEN1KMT2AKDM4EMAPTPKM
SCHEMBL10799546 0.86 KDM4E (0.69) MEN1KMT2AKDM4EMAPTPKM
SCHEMBL13430578 0.86 KDM4E (0.69) MEN1KMT2AKDM4EMAPTPKM
SCHEMBL10223068 0.86 KDM4E (0.69) MEN1KMT2AKDM4EMAPTPKM
SCHEMBL21328333 0.86 BCHE (0.72) MEN1KMT2AKDM4EMAPTPKM
SCHEMBL10348903 0.84 BCHE (0.56) MEN1KMT2AKDM4EMAPTPKM
SCHEMBL10348796 0.83 BCHE (0.58) MEN1KMT2AKDM4EMAPTPKM
SCHEMBL10348793 0.83 BCHE (0.58) MEN1KMT2AKDM4EMAPTPKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322617-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-07-02 EP disclosed
WO-2002024653-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-03-28 WO disclosed