SCHEMBL16631197

SCHEMBL16631197

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C4(c5ccc6c(c5)sc5ccccc56)c5ccccc5-c5ccccc54)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
OPRK1 P41145 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
GPR3 P46089 1/20 0.33
POLB P06746 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
F9 P00740 1/20 0.32
ALOX5 P09917 1/20 0.32
PDK2 Q15119 1/20 0.31
PIM3 Q86V86 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
SCHEMBL18118718 0.94 MAPT (0.33) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL18326157 0.94 MAPT (0.35) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL18326158 0.94 MAPT (0.35) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL16631085 0.94 MAPT (0.39) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL18118711 0.94 MAPT (0.32) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL18118703 0.94 MAPT (0.32) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL23098672 0.93 MEN1 (0.36) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL18326170 0.92 MAPT (0.34) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL23098839 0.92 MEN1 (0.34) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL21975245 0.91 ESR1 (0.32) MAPTSMN1; SMN2MEN1KMT2AKDM4E

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