SCHEMBL16631193

SCHEMBL16631193

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C4(c5ccc6c(c5)oc5ccccc56)c5ccccc5-c5ccccc54)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
OPRK1 P41145 1/20 0.36
AHR P35869 2/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
PLA2G2A P14555 3/20 0.32
PLA2G4A P47712 3/20 0.32
ALOX5 P09917 1/20 0.32
TNKS O95271 2/20 0.32
PDK2 Q15119 1/20 0.31
TTR P02766 1/20 0.31

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
SCHEMBL16631177 0.99 MEN1 (0.35) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL18118720 0.94 KDM4E (0.33) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL19449004 0.94 AHR (0.33) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL18326161 0.94 MMP12 (0.37) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL18326168 0.94 MMP12 (0.37) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL18118730 0.94 KDM4E (0.32) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL18118722 0.94 MEN1 (0.32) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL19169864 0.93 AHR (0.33) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL23096661 0.93 MEN1 (0.36) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL17827430 0.93 MEN1 (0.36) MEN1KMT2AMAPTKDM4ESMN1; SMN2

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