SCHEMBL22940643

SCHEMBL22940643

c1ccc2c(c1)ccc1c3nc4ccccn4c3c3ccccc3c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
HSD17B10 Q99714 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
MAPK10 P53779 1/20 0.49
KMT2A Q03164 1/20 0.49
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40

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
SCHEMBL22941430 0.87 KDM4E (0.41) KDM4EHSD17B10NPC1RAB9AMEN1
SCHEMBL22941429 0.87 KDM4E (0.41) KDM4EHSD17B10NPC1RAB9AMEN1
SCHEMBL22941428 0.85 KDM4E (0.40) KDM4EHSD17B10NPC1RAB9AMEN1
SCHEMBL22940644 0.84 NPC1 (0.39) KDM4EHSD17B10NPC1RAB9AMEN1
SCHEMBL22940572 0.83 KDM4E (0.39) KDM4EHSD17B10NPC1RAB9AMEN1
SCHEMBL22940522 0.83 NPC1 (0.39) KDM4EHSD17B10NPC1RAB9AMEN1
SCHEMBL22941340 0.83 NPC1 (0.39) KDM4EHSD17B10NPC1RAB9AMEN1
SCHEMBL22940820 0.83 NPC1 (0.39) KDM4EHSD17B10NPC1RAB9AMEN1
SCHEMBL22940645 0.82 MEN1 (0.38) KDM4EHSD17B10NPC1RAB9AMEN1
SCHEMBL21419469 0.82 KDM4E (0.58) KDM4EHSD17B10NPC1RAB9AMEN1

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
US-20210036239-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2021-02-04 US disclosed