SCHEMBL4836705

SCHEMBL4836705

COc1cc(C(C)Cc2ccccc2)c(C2OCC(C)(C)N2C)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
KDM1A O60341 1/20 0.35
HSD11B1 P28845 1/20 0.34
EBP Q15125 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
TMEM97 Q5BJF2 1/20 0.33
ABCB1 P08183 1/20 0.33
MEN1 O00255 1/20 0.33
CAPN1 P07384 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
Iodide SCHEMBL27719094 0.99 KMT2A (0.36) KMT2AKDM1AHSD11B1EBPSIGMAR1
SCHEMBL27719092 0.72 KMT2A (0.34) KMT2AKDM1AEBPSIGMAR1TMEM97
SCHEMBL5567608 0.68 KMT2A (0.42) KMT2ASIGMAR1MEN1
SCHEMBL1494053 0.67 KDM4E (0.36) KMT2AKDM4E
SCHEMBL12832326 0.67 ALDH1A1 (0.33) KMT2AKDM1AKDM4E
Iodide SCHEMBL1494123 0.66 ALDH1A1 (0.32) KMT2A
SCHEMBL1494089 0.65 HTR2A (0.44) KMT2AMEN1KDM4E
SCHEMBL1494045 0.64 ALDH1A1 (0.45) KMT2AMEN1CAPN1KDM4ETDP1
SCHEMBL8590736 0.63 CYP1A1 (0.35) KMT2AMEN1KDM4ETDP1
SCHEMBL27656327 0.63 KMT2A (0.34) KMT2AKDM1ASIGMAR1MEN1

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-1924264-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025925-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed