SCHEMBL22181779

SCHEMBL22181779

c1ccc2cc(N(c3ccc(-c4ccc(-c5ccc(N(c6ccc(-n7nc8ccccc8n7)cc6)c6ccc7ccccc7c6)cc5)cc4)cc3)c3ccc(-n4nc5ccccc5n4)cc3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
HPGD P15428 4/20 0.44
HTT P42858 1/20 0.44
ALOX5 P09917 2/20 0.44
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
ALDH1A1 P00352 6/20 0.36
MAPT P10636 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
STAT1 P42224 1/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
CYP3A4 P08684 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL22007462 1.00 KDM4E (0.44) KDM4EHPGDHTTALOX5NPC1
SCHEMBL22687027 0.94 KDM4E (0.44) KDM4EHPGDHTTALOX5NPC1
SCHEMBL22687672 0.94 KDM4E (0.44) KDM4EHPGDHTTALOX5NPC1
SCHEMBL30443096 0.94 KDM4E (0.44) KDM4EHPGDHTTALOX5NPC1
SCHEMBL22007463 0.91 ALOX5 (0.42) KDM4EHPGDHTTALOX5NPC1
SCHEMBL26833818 0.91 ALOX5 (0.42) KDM4EHPGDHTTALOX5NPC1
SCHEMBL22007082 0.90 NPC1 (0.47) KDM4EHPGDHTTALOX5NPC1
SCHEMBL24312894 0.89 NPC1 (0.46) KDM4EHPGDHTTALOX5NPC1
SCHEMBL22181778 0.88 MAPT (0.44) KDM4EHPGDHTTALOX5NPC1
SCHEMBL22687364 0.86 KDM4E (0.40) KDM4EHPGDHTTALOX5NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220149291-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT HODOGAYA CHEMICAL CO., LTD. (JP) 2022-05-12 US disclosed
US-11056653-B2 Organic electroluminescence device HODOGAYA CHEMICAL CO., LTD. (JP) 2021-07-06 US disclosed
US-20200328353-A1 Organic Electroluminescence Device HODOGAYA CHEMICAL CO., LTD. (JP) 2020-10-15 US disclosed
WO-2020137724-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 保土谷化学工業株式会社 2020-07-02 WO disclosed