SCHEMBL21971699

SCHEMBL21971699

c1ccc(-c2c(-c3ccc(C4c5c(c6ccccc6c6ccccc56)Oc5c4c4ccccc4c4ccccc54)cc3)c3ccccc3c3ccccc23)cc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
IDO1 P14902 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31
ACHE P22303 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL21971030 0.97 ACHE (0.33) KDM1AMAOBKDM4EMAPTMAPK1
SCHEMBL21971755 0.91 KDM1A (0.40) KDM1AMAOBTDP1NPSR1IDO1
SCHEMBL21971031 0.91 PLA2G2A (0.36) KDM1AMAOBGPR84TAAR1ESR1
SCHEMBL21971029 0.87 ALDH1A1 (0.34) KDM1AMAOBNPSR1GPR84IDO1
SCHEMBL21971736 0.87 ALDH1A1 (0.38) KDM1AMAOBKDM4EMAPTMAPK1
SCHEMBL21972687 0.85 ALDH1A1 (0.37) KDM1AMAOBKDM4EMAPTMAPK1
SCHEMBL21971128 0.84 ALOX5 (0.41) KDM4EL3MBTL1NPSR1GPR84ESR1
SCHEMBL21972686 0.83 TAAR1 (0.45) KDM1AMAOBKDM4EMAPTMAPK1
SCHEMBL21971123 0.83 ESR1 (0.41) KDM1AMAOBNPSR1CA1CA2
SCHEMBL21971757 0.82 TP53 (0.39) KDM1AMAOBKDM4EMAPTL3MBTL1

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-20200144518-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-05-07 US disclosed