SCHEMBL17809402

SCHEMBL17809402

c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c65)cc4)n3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.37
MAPT P10636 6/20 0.37
HPGD P15428 6/20 0.37
MEN1 O00255 5/20 0.37
ALDH1A1 P00352 5/20 0.37
NTSR1 P30989 1/20 0.37
KDM4E B2RXH2 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
HDAC4 P56524 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTK2B Q14289 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL21018140 1.00 KMT2A (0.37) KMT2AMAPTHPGDMEN1ALDH1A1
SCHEMBL17809377 1.00 KMT2A (0.37) KMT2AMAPTHPGDMEN1ALDH1A1
SCHEMBL21018264 1.00 KMT2A (0.37) KMT2AMAPTHPGDMEN1ALDH1A1
SCHEMBL21018142 0.96 KMT2A (0.40) KMT2AMAPTHPGDMEN1ALDH1A1
SCHEMBL21018263 0.96 KMT2A (0.40) KMT2AMAPTHPGDMEN1ALDH1A1
SCHEMBL18561382 0.94 ATM (0.39) KMT2AMAPTHPGDMEN1ALDH1A1
SCHEMBL20315835 0.94 ATM (0.39) KMT2AMAPTHPGDMEN1ALDH1A1
SCHEMBL21365846 0.94 KDM4E (0.42) KMT2AMAPTHPGDMEN1ALDH1A1
SCHEMBL21365839 0.94 KDM4E (0.42) KMT2AMAPTHPGDMEN1ALDH1A1
SCHEMBL21365682 0.94 KDM4E (0.42) KMT2AMAPTHPGDMEN1ALDH1A1

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-20160163995-A1 ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-06-09 US disclosed
US-20160163995-A1 ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-06-09 US disclosed