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SCHEMBL21240902

SCHEMBL21240902

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8cccc(-c9cccc(-c%10cc(-c%11ccccc%11)nc(-c%11ccc(-n%12c%13ccccc%13c%13c(-c%14ccc%15c(c%14)c%14ccccc%14n%15-c%14ccc(-c%15cccc(-c%16cc(-c%17ccccc%17)nc(-c%17cccc(-n%18c%19ccccc%19c%19cc(-c%20ccc%21c(c%20)c%20ccccc%20n%21-c%20ccccc%20)ccc%19%18)c%17)n%16)c%15)cc%14)cccc%13%12)cc%11)n%10)c9)c8)c7c6)ccc54)cc3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.34
▸ KMT2A Q03164 6/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ MAPT P10636 5/20 0.34
▸ HPGD P15428 5/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ LMNA P02545 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NTSR1 P30989 1/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ HDAC4 P56524 1/20 0.31
▸ PTGES O14684 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ MAOA P21397 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
SCHEMBL20803046 0.99 MEN1 (0.34) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21655431 0.98 MEN1 (0.35) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17714958 0.95 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21390778 0.94 MEN1 (0.36) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL20655068 0.94 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21240042 0.94 KDM4E (0.36) MEN1KMT2AKDM4EATML3MBTL1
SCHEMBL22310291 0.94 KDM4E (0.36) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21655701 0.94 KDM4E (0.36) MEN1KMT2AKDM4EATML3MBTL1
SCHEMBL17714833 0.94 KDM4E (0.38) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17915703 0.94 MEN1 (0.38) MEN1KMT2AALDH1A1MAPTHPGD

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-20190245152-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2019-08-08 — — US disclosed
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