SCHEMBL22940535

SCHEMBL22940535

c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5c5nc7ccccn7c65)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
MAPK10 P53779 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE10A Q9Y233 1/20 0.32
PDE5A O76074 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
PARP1 P09874 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31

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
SCHEMBL22941585 0.99 KDM4E (0.37) KDM4ENPC1RAB9AMEN1TP53
SCHEMBL22940522 0.97 NPC1 (0.39) KDM4ENPC1RAB9AMEN1TP53
SCHEMBL22940820 0.97 NPC1 (0.39) KDM4ENPC1RAB9AMEN1TP53
SCHEMBL22941340 0.97 NPC1 (0.39) KDM4ENPC1RAB9AMEN1TP53
SCHEMBL22940644 0.96 NPC1 (0.39) KDM4ENPC1RAB9AMEN1TP53
SCHEMBL22941337 0.95 RAB9A (0.36) KDM4ENPC1RAB9AMEN1TP53
SCHEMBL22941428 0.95 KDM4E (0.40) KDM4ENPC1RAB9AMEN1TP53
SCHEMBL22940865 0.93 RAB9A (0.37) KDM4ENPC1RAB9AMEN1TP53
SCHEMBL22941430 0.92 KDM4E (0.41) KDM4ENPC1RAB9AMEN1TP53
SCHEMBL22941429 0.92 KDM4E (0.41) KDM4ENPC1RAB9AMEN1TP53

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