SCHEMBL20698664

SCHEMBL20698664

c1ccc(-n2c3ccccc3c3ccc(-c4cc5c6ccccc6c6cc(-c7ccc8c(c7)c7ccc(-c9cc%10c%11ccccc%11c%11c%12ccccc%12ccc%11c%10c%10ccccc9%10)cc7n8-c7ccccc7)ccc6c5c5ccccc45)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PTGES O14684 1/20 0.35
▸ PTGER4 P35408 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL22617921 0.95 KDM4E (0.38) KDM4EATML3MBTL1PTGESPTGER4
SCHEMBL17691957 0.94 L3MBTL1 (0.46) KDM4EATML3MBTL1PTGESSIRT2
SCHEMBL17691956 0.92 KDM4E (0.44) KDM4EATML3MBTL1PTGESSIRT2
SCHEMBL20698594 0.91 KDM4E (0.38) KDM4EATML3MBTL1PTGESF2
SCHEMBL15480119 0.91 KDM4E (0.41) KDM4EATML3MBTL1PTGESPTGER4
SCHEMBL20698485 0.91 KDM4E (0.38) KDM4EATML3MBTL1PTGESPTGER4
SCHEMBL15480071 0.91 KDM4E (0.41) KDM4EATML3MBTL1PTGESPTGER4
SCHEMBL15480128 0.90 KDM4E (0.38) KDM4EATML3MBTL1PTGESPTGER4
SCHEMBL15480099 0.90 KDM4E (0.38) KDM4EATML3MBTL1PTGESPTGER4
SCHEMBL22617902 0.90 KDM4E (0.42) KDM4EATML3MBTL1F2F10

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-20190036043-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-01-31 — — US disclosed
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