SCHEMBL21593695

SCHEMBL21593695

Nc1ccc(Oc2cccc3cccnc23)c2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
MAPT P10636 6/20 0.50
ALDH1A1 P00352 3/20 0.50
HTT P42858 2/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
APAF1 O14727 1/20 0.47
TDP2 O95551 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL19231173 0.93 KDM4E (0.51) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL4386263 0.82 KDM4E (0.72) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL9446986 0.81 KDM4E (0.63) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL625749 0.76 NSD2 (0.62) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL15516799 0.75 G6PD (0.45) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL20193999 0.74 KDM4E (0.48) KDM4EMEN1KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL20589073 0.74 NSD2 (0.60) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL9447016 0.74 MEN1 (0.63) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL9447019 0.73 KDM4E (0.57) KDM4EMEN1KMT2AMAPTALDH1A1
8-Aminoquinoline SCHEMBL159694 0.72 LMNA (0.61) KDM4EMEN1KMT2AMAPTALDH1A1

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
WO-2019238817-A1 BIFUNCTIONAL MOLECULES FOR TARGETING RPN11 UNIVERSITY OF DUNDEE (GB) 2019-12-19 WO disclosed