SCHEMBL16631123

SCHEMBL16631123

c1ccc(-c2ccc(N(c3ccccc3)c3cccc(C4(c5ccc6sc7ccccc7c6c5)c5ccccc5-c5ccccc54)c3)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
OPRK1 P41145 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR3 P46089 1/20 0.30
PIM3 Q86V86 1/20 0.30
APP P05067 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
F9 P00740 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
SCHEMBL16631131 1.00 ALOX5 (0.32) ALOX5ESR1ESR2MAPTKDM4E
SCHEMBL22403638 0.95 ALOX5 (0.32) ALOX5MAPTKDM4EMEN1LMNA
SCHEMBL16631119 0.94 ESR1 (0.35) ALOX5ESR1ESR2MAPTKDM4E
SCHEMBL18118675 0.94 KDM4E (0.32) ESR1ESR2MAPTKDM4EMEN1
SCHEMBL18326065 0.94 PIM3 (0.32) ALOX5MAPTKDM4EMEN1LMNA
SCHEMBL18326194 0.94 PIM3 (0.32) ALOX5MAPTKDM4EMEN1LMNA
SCHEMBL18326081 0.93 PIM3 (0.33) ALOX5PIM3F9
SCHEMBL17804951 0.93 PIM3 (0.34) ALOX5MAPTKDM4EMEN1LMNA
SCHEMBL17804823 0.93 PIM3 (0.34) ALOX5MAPTKDM4EMEN1LMNA
SCHEMBL17903084 0.93 PIM3 (0.34) ALOX5MAPTKDM4EMEN1LMNA

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-2015050391-A1 AN ORGANIC ELECTROLUMINESCENT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-04-09 WO disclosed