SCHEMBL28284621

SCHEMBL28284621

[c]1ccccc1-c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.38
▸ CA1 P00915 4/20 0.38
▸ CA2 P00918 4/20 0.38
▸ CA9 Q16790 4/20 0.38
▸ MCL1 Q07820 1/20 0.33
▸ ACMSD Q8TDX5 1/20 0.33
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ SOS1 Q07889 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ DHFR P00374 1/20 0.32
▸ EDNRB P24530 1/20 0.32
▸ EDNRA P25101 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RAB9A P51151 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
SCHEMBL2955115 0.83 CA12 (0.45) CA12CA1CA2CA9MCL1
SCHEMBL30744707 0.82 CA12 (0.49) CA12CA1CA2CA9MCL1
SCHEMBL28360030 0.82 CA12 (0.49) CA12CA1CA2CA9MCL1
SCHEMBL20298645 0.82 ENPP3 (0.46) CA12CA1CA2CA9MCL1
SCHEMBL12231078 0.82 CA12 (0.49) CA12CA1CA2CA9MCL1
SCHEMBL14995745 0.81 ACHE (0.36) DHFRCYP1A2CYP2C19
SCHEMBL29770904 0.78 MCL1 (0.49) CA12CA1CA2CA9MCL1
SCHEMBL22345775 0.78 MCL1 (0.49) CA12CA1CA2CA9MCL1
SCHEMBL23988465 0.78 CA12 (0.46) CA12CA1CA2CA9MCL1
SCHEMBL22993276 0.78 CA12 (0.42) CA12CA1CA2CA9MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109671837-A Illuminator and the luminescent film including it, light emitting diode and light emitting device 乐金显示有限公司 2019-04-23 — — CN disclosed
CN-109535134-A compound and organic electronic device using the same 彩丰精技股份有限公司 2019-03-29 — — CN disclosed
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