SCHEMBL16631085

SCHEMBL16631085

c1ccc(N(c2ccccc2)c2ccc(C3(c4ccc5c(c4)sc4ccccc45)c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
OPRK1 P41145 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
GPR3 P46089 1/20 0.36
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL20089051 0.94 MAPT (0.35) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL18118736 0.94 MAPT (0.35) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL16631197 0.94 MAPT (0.36) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL17805040 0.92 MAPT (0.39) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL23096430 0.92 MEN1 (0.39) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL23096335 0.91 MEN1 (0.36) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL18118703 0.90 MAPT (0.32) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL16631186 0.89 S1PR5 (0.33) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL21975172 0.89 MAPT (0.45) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL17805008 0.89 MAPT (0.36) 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