SCHEMBL21699657

SCHEMBL21699657

BCc1ccccc1-c1nc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.58
NPC1 O15118 10/20 0.58
RAB9A P51151 10/20 0.58
ALDH1A1 P00352 8/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
MAPT P10636 6/20 0.58
GAA P10253 5/20 0.58
L3MBTL1 Q9Y468 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
TDP1 Q9NUW8 3/20 0.58
HSD17B10 Q99714 3/20 0.51
TP53 P04637 2/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
POLB P06746 2/20 0.49
ILK Q13418 4/20 0.48
GLA P06280 3/20 0.48
HCRTR1 O43613 1/20 0.48
HPGD P15428 2/20 0.47

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
SCHEMBL11489855 0.87 KDM4E (0.58) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21301181 0.83 KDM4E (0.58) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL900512 0.83 KDM4E (0.58) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21779833 0.83 KDM4E (0.63) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4907798 0.83 KDM4E (0.58) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL24182079 0.83 KDM4E (0.63) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL231307 0.82 KDM4E (0.75) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21362250 0.81 KDM4E (0.59) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8045063 0.81 KDM4E (0.55) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12854008 0.80 KDM4E (0.72) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2

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-3417495-B1 ELECTRON TRANSPORT LAYER COMPRISING A MATRIX COMPOUND MIXTURE FOR AN ORGANIC LIGHT-EMITTING DIODE (OLED) NOVALED GMBH (DE) 2020-05-27 EP disclosed
EP-3338314-B1 TRIARYL AMINE THICK LAYER DOPED WITH METAL AMIDES FOR USE AS HOLE INJECTION LAYER FOR AN ORGANIC LIGHT-EMITTING DIODE (OLED) NOVALED GMBH (DE) 2020-02-12 EP disclosed