SCHEMBL22181778

SCHEMBL22181778

Clc1ccc2nn(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-n7nc8ccc(Cl)cc8n7)cc6)c6ccc7ccccc7c6)cc5)cc4)c4ccc5ccccc5c4)cc3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
NPC1 O15118 7/20 0.44
KDM4E B2RXH2 6/20 0.44
RAB9A P51151 5/20 0.44
ATM Q13315 2/20 0.44
ALOX5 P09917 1/20 0.41
CYP2A6 P11509 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 4/20 0.37
STAT1 P42224 1/20 0.37
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.35
BLM P54132 1/20 0.35
CASP9 P55211 1/20 0.35
CASP6 P55212 1/20 0.35
CASP8 Q14790 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL23987578 0.94 MAPT (0.42) MAPTNPC1KDM4ERAB9AATM
SCHEMBL22181779 0.88 KDM4E (0.44) MAPTNPC1KDM4ERAB9AALOX5
SCHEMBL22007462 0.88 KDM4E (0.44) MAPTNPC1KDM4ERAB9AALOX5
SCHEMBL22007463 0.88 ALOX5 (0.42) MAPTNPC1KDM4ERAB9AATM
SCHEMBL22007082 0.87 NPC1 (0.47) MAPTNPC1KDM4ERAB9AALOX5
SCHEMBL24312894 0.86 NPC1 (0.46) MAPTNPC1KDM4ERAB9AALOX5
SCHEMBL22687027 0.83 KDM4E (0.44) MAPTNPC1KDM4ERAB9AALOX5
SCHEMBL30443096 0.83 KDM4E (0.44) MAPTNPC1KDM4ERAB9AALOX5
SCHEMBL22687672 0.83 KDM4E (0.44) MAPTNPC1KDM4ERAB9AALOX5
SCHEMBL22007461 0.81 ALOX5 (0.65) MAPTNPC1KDM4ERAB9AALOX5

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