SCHEMBL17609148

SCHEMBL17609148

COCCc1ccc(CNc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
MAPT P10636 3/20 0.68
GAA P10253 2/20 0.68
BLM P54132 2/20 0.68
TP53 P04637 1/20 0.68
ATM Q13315 1/20 0.68
F2 P00734 2/20 0.63
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
MRGPRX1 Q96LB2 1/20 0.60
BCHE P06276 7/20 0.56
ALDH1A1 P00352 2/20 0.53
RAB9A P51151 2/20 0.53
KCNH2 Q12809 1/20 0.53
GRIN2B Q13224 1/20 0.53
NPC1 O15118 1/20 0.53
SMN1; SMN2 Q16637 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
SCHEMBL4407617 0.87 ENPP2 (0.62) MEN1KMT2AMAPTGAABCHE
SCHEMBL11838896 0.85 MAPT (0.84) MEN1KMT2AMAPTGAABLM
SCHEMBL8082984 0.84 MAPT (0.82) MEN1KMT2AMAPTGAABLM
SCHEMBL17602198 0.82 MAPT (0.62) MEN1KMT2AMAPTGAABLM
SCHEMBL855509 0.82 MAPT (0.65) MEN1KMT2AMAPTGAABLM
SCHEMBL4667164 0.81 MAPT (1.00) MEN1KMT2AMAPTGAABLM
SCHEMBL17609131 0.81 MAPT (0.64) MEN1KMT2AMAPTGAABLM
SCHEMBL3720530 0.80 MEN1 (0.76) MEN1KMT2AMAPTGAABLM
SCHEMBL1844630 0.80 MAPT (0.70) MEN1KMT2AMAPTGAABLM
SCHEMBL17602316 0.79 BCHE (0.64) MEN1KMT2AMAPTGAABLM

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-3193601-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2017-07-26 EP disclosed
WO-2016044429-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2016-03-24 WO disclosed