SCHEMBL20089085

SCHEMBL20089085

c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4cccc6oc7ccccc7c46)c4ccccc4-5)c4ccc5ccccc5c4)cc32)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 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
SCHEMBL20089064 0.91 KDM4E (0.32)
SCHEMBL21094582 0.91 TDP1 (0.31) TDP1L3MBTL1NPC1CYP1A2CYP2C9
SCHEMBL20089081 0.89 ALOX5 (0.36) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL27010837 0.88 TDP1 (0.32) TDP1L3MBTL1NPC1CYP1A2CYP2C9
SCHEMBL20089069 0.88 NPC1 (0.33) TDP1L3MBTL1NPC1CYP1A2CYP2C9
SCHEMBL20089083 0.88 KDM4E (0.32) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL20462439 0.87 PRKDC (0.30) TDP1L3MBTL1
SCHEMBL27011840 0.87
SCHEMBL24539933 0.86 TDP1 (0.31) TDP1L3MBTL1NPC1CYP1A2CYP2C9
SCHEMBL24540053 0.86

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10580993-B2 Amine compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-03-03 US disclosed
US-20180114906-A1 AMINE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-04-26 US disclosed
US-20180114906-A1 AMINE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-04-26 US disclosed