SCHEMBL28638796

SCHEMBL28638796

c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4ccc4ccccc45)cc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HPRT1 P00492 3/20 0.40
MCL1 Q07820 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
NTSR1 P30989 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
MAPT P10636 1/20 0.36
MAPK14 Q16539 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL21152181 0.94 KDM4E (0.55) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL17691949 0.91 KDM4E (0.51) KDM4EATML3MBTL1HPRT1TDP1
SCHEMBL26813204 0.91 KDM4E (0.51) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL17642151 0.89 L3MBTL1 (0.46) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL23370519 0.89 KDM4E (0.49) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL23370609 0.89 KDM4E (0.49) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL23370405 0.89 L3MBTL1 (0.49) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL26813214 0.89 KDM4E (0.49) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL23370387 0.89 KDM4E (0.49) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL23370401 0.89 KDM4E (0.51) KDM4EATML3MBTL1MCL1ACMSD

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-113429399-B Pyrene derivative, light-emitting device material and light-emitting device 浙江华显光电科技有限公司 2024-03-26 CN disclosed
CN-113429399-A Pyrene derivative, light emitting device material and light emitting device 浙江华显光电科技有限公司 2021-09-24 CN disclosed