SCHEMBL12193227

SCHEMBL12193227

C1=CC(c2ccc(-c3ccc(Nc4ccccc4)c4ccccc34)cc2)=CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
ATM Q13315 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDC25B P30305 4/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHAT P28329 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
SCHEMBL14420538 0.81
SCHEMBL24672211 0.80 HSD17B10 (0.53) MEN1GAAKMT2AKDM4EGLA
SCHEMBL19170362 0.79 ALDH1A1 (0.45) MEN1GAAKMT2AMAPTRECQL
SCHEMBL22937097 0.79 FABP3 (0.35) MEN1GAAKMT2AKDM4EGLA
SCHEMBL19538018 0.78 PTGER4 (0.34) ALK
SCHEMBL30724554 0.77 MEN1 (0.61) MEN1GAAKMT2AKDM4EGLA
SCHEMBL10136273 0.77 MEN1 (0.61) MEN1GAAKMT2AKDM4EGLA
SCHEMBL21310620 0.77 KDM4E (0.31) MEN1GAAKMT2AKDM4EGLA
SCHEMBL30967405 0.77 MEN1 (0.65) MEN1GAAKMT2AKDM4EGLA
SCHEMBL1898742 0.77 MEN1 (0.65) MEN1GAAKMT2AKDM4EGLA

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
EP-2371810-A1 Aromatic amine derivative and organic electroluminescent device using same Idemitsu Kosan Co., Ltd. (JP) 2011-10-05 EP disclosed