SCHEMBL21852751

SCHEMBL21852751

COc1ccc(-c2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)nc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
KDM4E B2RXH2 4/20 0.67
LMNA P02545 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
HPGD P15428 2/20 0.57
MAPT P10636 2/20 0.53
ADORA1 P30542 1/20 0.53
ESR2 Q92731 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
PTGS2 P35354 1/20 0.52

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
SCHEMBL14525866 0.97 ALDH1A1 (0.64) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL10508211 0.88 ALDH1A1 (0.60) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL10444906 0.86 ALDH1A1 (0.58) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL6339578 0.84 KDM4E (0.92) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL30696080 0.84 KDM4E (0.92) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL6700778 0.84 KMT2A (0.54) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL14525859 0.82 ALDH1A3 (0.58) ALDH1A1KDM4ELMNANPSR1TDP1
Anitrazafen SCHEMBL43419 0.81 ALDH1A1 (0.53) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL1305539 0.81 ALDH1A1 (0.56) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL15056743 0.81 KDM4E (1.00) ALDH1A1KDM4ELMNANPSR1TDP1

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
CN-111004258-B Multistage self-assembly in-situ real-time monitoring and controllable induction of achiral fluorescent molecule circular polarization luminescence 香港科技大学 2022-09-06 CN disclosed
US-11332662-B2 Chiral compound for induction of circularly polarized luminescence from achiral luminogens THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-05-17 US disclosed
US-11332662-B2 Chiral compound for induction of circularly polarized luminescence from achiral luminogens THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-05-17 US disclosed
US-20200123441-A1 Chiral Compound for Induction of Circularly Polarized Luminescence from Achiral Luminogens THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-04-23 US disclosed
US-20200123441-A1 Chiral Compound for Induction of Circularly Polarized Luminescence from Achiral Luminogens THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-04-23 US disclosed