SCHEMBL19637883

SCHEMBL19637883

Ic1cccc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
ATM Q13315 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MPI P34949 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
KMT2A Q03164 3/20 0.35
IL1R1 P14778 1/20 0.35
MPO P05164 1/20 0.35
HDAC4 P56524 1/20 0.35
FAAH O00519 2/20 0.35
MGLL Q99685 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35
HSP90AA1 P07900 1/20 0.34
PKM P14618 1/20 0.34
MAOB P27338 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
SCHEMBL19669351 0.89 ATM (0.57) L3MBTL1ATMKDM4ERXRARXRB
SCHEMBL16901041 0.89 ATM (0.57) L3MBTL1ATMKDM4ERXRARXRB
SCHEMBL17425606 0.89 ATM (0.57) L3MBTL1ATMKDM4ERXRARXRB
SCHEMBL30022823 0.89 ATM (0.57) L3MBTL1ATMKDM4ERXRARXRB
SCHEMBL13309232 0.89 L3MBTL1 (0.57) L3MBTL1ATMKDM4ERXRARXRB
SCHEMBL23370595 0.88 ATM (0.60) L3MBTL1ATMKDM4ERXRARXRB
SCHEMBL16901146 0.88 ATM (0.60) L3MBTL1ATMKDM4ERXRARXRB
SCHEMBL25915860 0.88 ATM (0.55) L3MBTL1ATMKDM4ERXRARXRB
SCHEMBL16901039 0.86 ATM (0.58) L3MBTL1ATMKDM4ERXRARXRB
SCHEMBL21578500 0.86 ATM (0.58) L3MBTL1ATMKDM4ERXRARXRB

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-2017200210-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-11-23 WO disclosed