SCHEMBL22338445

SCHEMBL22338445

C1=Cc2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc3cccc1c23

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
APP P05067 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL5039128 0.88 ALDH1A1 (0.36) ESR1ESR2KDM4EALDH1A1HSD17B1
SCHEMBL22338441 0.88 HSD17B1 (0.32) HSD17B1HSD17B2
SCHEMBL22338442 0.86 CA12 (0.31) HSD17B1HSD17B2
SCHEMBL22338498 0.83 RXRA (0.32)
SCHEMBL17816331 0.82 CYP1A2 (0.41) BACE1ESR1ESR2KDM4EALDH1A1
SCHEMBL18159294 0.79 ESR1 (0.44) BACE1ESR1ESR2KDM4EALDH1A1
SCHEMBL22338443 0.77 PIK3CA (0.30)
SCHEMBL22338505 0.77 PIK3CA (0.30)
SCHEMBL15731051 0.76 ESR1 (0.40) BACE1ESR1ESR2KDM4EALDH1A1
SCHEMBL22338402 0.76 PIK3CA (0.33) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12022733-B2 Organic electroluminescence device and monoamine compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2024-06-25 US disclosed
US-12022733-B2 Organic electroluminescence device and monoamine compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2024-06-25 US disclosed
US-20230137318-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-04 US disclosed
US-20230137318-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-04 US disclosed
US-20200259104-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-08-13 US disclosed