SCHEMBL16066445

SCHEMBL16066445

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n4c5ccccc5cc64)cc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.33
HDAC4 P56524 1/20 0.33
RXRA P19793 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PTGER4 P35408 1/20 0.32
RAC2 P15153 1/20 0.32
RAC3 P60763 1/20 0.32
CDC42 P60953 1/20 0.32
RAC1 P63000 1/20 0.32
APP P05067 1/20 0.32
NPY5R Q15761 1/20 0.32
PTPN1 P18031 1/20 0.32
TSHR P16473 2/20 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
SCHEMBL16067218 1.00 ATM (0.41) ATMKDM4EL3MBTL1KMT2AHDAC4
SCHEMBL16067231 0.99 ATM (0.40) ATMKDM4EL3MBTL1KMT2AHDAC4
SCHEMBL16066448 0.99 ATM (0.40) ATMKDM4EL3MBTL1KMT2AHDAC4
SCHEMBL16066206 0.95 L3MBTL1 (0.42) ATMKDM4EL3MBTL1KMT2AHDAC4
SCHEMBL16066429 0.94 KDM4E (0.36) ATMKDM4EL3MBTL1KMT2AHDAC4
SCHEMBL16067226 0.94 KDM4E (0.36) ATMKDM4EL3MBTL1KMT2AHDAC4
SCHEMBL16066172 0.94 ATM (0.41) ATMKDM4EL3MBTL1KMT2AHDAC4
SCHEMBL16067019 0.94 L3MBTL1 (0.41) ATMKDM4EL3MBTL1KMT2AHDAC4
SCHEMBL16066991 0.93 ATM (0.41) ATMKDM4EL3MBTL1KMT2AHDAC4
SCHEMBL16066428 0.91 KDM4E (0.37) ATMKDM4EL3MBTL1KMT2AMEN1

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
WO-2014142488-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME 주식회사 두산 (KR) 2014-09-18 WO disclosed