SCHEMBL21362250

SCHEMBL21362250

CCCc1ccccc1-c1nc2ccccc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.59
ALDH1A1 P00352 7/20 0.59
NPC1 O15118 7/20 0.59
RAB9A P51151 7/20 0.59
MAPT P10636 5/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
GAA P10253 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
POLB P06746 2/20 0.50
ILK Q13418 5/20 0.49
GLA P06280 2/20 0.49
HCRTR1 O43613 1/20 0.49
NPSR1 Q6W5P4 3/20 0.48
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
TP53 P04637 2/20 0.46
HSD17B10 Q99714 2/20 0.46

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
SCHEMBL28137666 0.91 MAPT (0.56) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL24182079 0.87 KDM4E (0.63) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL21699657 0.81 KDM4E (0.58) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL21301181 0.81 KDM4E (0.58) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL4907798 0.81 KDM4E (0.58) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL11489855 0.81 KDM4E (0.58) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL21779833 0.81 KDM4E (0.63) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL900512 0.81 KDM4E (0.58) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL10109758 0.80 KDM4E (0.58) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL231307 0.79 KDM4E (0.75) KDM4EALDH1A1NPC1RAB9AMAPT

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
EP-3539972-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Display Co., Ltd (KR) 2019-09-18 EP disclosed