SCHEMBL364541

SCHEMBL364541

N#Cc1c2ccc(O)cc2n2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 1.00
KMT2A Q03164 7/20 1.00
ALDH1A1 P00352 7/20 1.00
MEN1 O00255 6/20 1.00
L3MBTL1 Q9Y468 4/20 1.00
MAPT P10636 4/20 1.00
GAA P10253 4/20 1.00
LMNA P02545 3/20 1.00
HTT P42858 2/20 1.00
NCOA3 Q9Y6Q9 2/20 1.00
MAPK1 P28482 4/20 0.63
PABPC1 P11940 1/20 0.63
CASP3 P42574 1/20 0.63
NCOA1 Q15788 1/20 0.63
SENP6 Q9GZR1 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
POLB P06746 1/20 0.52
HPGD P15428 2/20 0.47
GLA P06280 2/20 0.47
CACNA1B Q00975 1/20 0.38

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
SCHEMBL365090 0.81 ALDH1A1 (0.68) KDM4EKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL365546 0.79 KMT2A (0.64) KDM4EKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL366921 0.78 KDM4E (1.00) KDM4EKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL364999 0.76 ALDH1A1 (0.60) KDM4EKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL367736 0.75 KDM4E (0.70) KDM4EKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL364542 0.74 ALDH1A1 (0.59) KDM4EKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL366757 0.74 ALDH1A1 (0.59) KDM4EKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL365639 0.73 KMT2A (0.66) KDM4EKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL366887 0.72 KDM4E (0.56) KDM4EKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL10274437 0.72 ALDH1A1 (0.56) KDM4EKMT2AALDH1A1MEN1L3MBTL1

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
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed