SCHEMBL23308271

SCHEMBL23308271

c1ccc(-c2nc(-c3ccc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)cc3)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AVPR1A P37288 1/20 0.35
ABCG2 Q9UNQ0 2/20 0.33
PTGER4 P35408 1/20 0.33
KMT2A Q03164 2/20 0.33
PRMT5 O14744 1/20 0.33
MAT2A P31153 1/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
PDE5A O76074 2/20 0.33
TSPO P30536 1/20 0.32
HDAC4 P56524 1/20 0.32
IL1R1 P14778 1/20 0.32

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
SCHEMBL23308272 0.98 L3MBTL1 (0.42) KDM4EATML3MBTL1AVPR1AABCG2
SCHEMBL18565248 0.98 L3MBTL1 (0.42) KDM4EATML3MBTL1AVPR1APTGER4
SCHEMBL23308273 0.95 KDM4E (0.42) KDM4EATML3MBTL1AVPR1AABCG2
SCHEMBL18565357 0.94 KDM4E (0.39) KDM4EATML3MBTL1AVPR1APTGER4
SCHEMBL18565325 0.94 KDM4E (0.39) KDM4EATML3MBTL1AVPR1APTGER4
SCHEMBL18565328 0.94 L3MBTL1 (0.43) KDM4EATML3MBTL1ABCG2PTGER4
SCHEMBL23308291 0.93 KDM4E (0.42) KDM4EATML3MBTL1AVPR1AABCG2
SCHEMBL18565249 0.93 KDM4E (0.46) KDM4EATML3MBTL1AVPR1APTGER4
SCHEMBL18565252 0.92 KDM4E (0.39) KDM4EATML3MBTL1AVPR1APTGER4
SCHEMBL14649855 0.92 KDM4E (0.41) KDM4EATML3MBTL1AVPR1AABCG2

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-20210126204-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2021-04-29 US disclosed