SCHEMBL22147890

SCHEMBL22147890

CC1N(C)c2ccccc2N1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ GAA P10253 5/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ HPGD P15428 4/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ PTPN2 P17706 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ GPR3 P46089 1/20 0.39
▸ PDGFRB P09619 1/20 0.37
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 1/20 0.33
▸ MAOA P21397 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ GLA P06280 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ PAX8 Q06710 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
SCHEMBL23059123 1.00 ALDH1A1 (0.52) ALDH1A1GAAKDM4EHPGDALOX12
SCHEMBL1049325 0.83 GAA (0.62) ALDH1A1GAAKDM4EHPGDALOX12
SCHEMBL30353863 0.83 GAA (0.62) ALDH1A1GAAKDM4EHPGDALOX12
Iodide SCHEMBL9134484 0.80 GAA (0.60) ALDH1A1GAAKDM4EHPGDALOX12
SCHEMBL22147810 0.77 KDM4E (0.38) ALDH1A1GAAKDM4EHPGDALOX12
SCHEMBL16709177 0.73 KDM4E (0.47) ALDH1A1GAAKDM4EHPGDALOX12
SCHEMBL23059124 0.72 KDM4E (0.39) ALDH1A1GAAKDM4EHPGDALOX12
SCHEMBL23059121 0.72 ADORA3 (0.36) ALDH1A1GAAKDM4EHPGDALOX12
SCHEMBL21250753 0.72 PDGFRB (0.46) ALDH1A1GAAKDM4EHPGDALOX12
SCHEMBL16709149 0.71 KDM4E (0.45) ALDH1A1GAAKDM4EHPGDALOX12

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
US-20210257575-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS SAMSUNG DISPLAY CO., LTD. (KR) 2021-08-19 — — US disclosed
US-20200203634-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-25 — — US disclosed
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