SCHEMBL14434778

SCHEMBL14434778

CNc1ccc(/C=C/C2N(C)c3ccccc3C2(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.39
▸ KCNH2 Q12809 2/20 0.36
▸ MAT2A P31153 1/20 0.33
▸ MEN1 O00255 4/20 0.31
▸ MAPT P10636 4/20 0.31
▸ KMT2A Q03164 4/20 0.31
▸ KDM4A O75164 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ LMNA P02545 2/20 0.30
▸ MAPK1 P28482 2/20 0.30
▸ GFER P55789 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL29012247 0.83 APP (0.34) APPMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL13698927 0.83 APP (0.34) APPMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL29653731 0.83 APP (0.34) APPMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL9812776 0.81 RELA (0.45) APPKCNH2MAT2AMEN1MAPT
SCHEMBL13138317 0.81 RELA (0.45) APPKCNH2MAT2AMEN1MAPT
Hydrochloric Acid SCHEMBL11791882 0.80 RELA (0.44) APPKCNH2MAT2AMEN1MAPT
SCHEMBL1226876 0.79 APP (0.42) APPMEN1MAPTKMT2APOLB
SCHEMBL1226877 0.79 APP (0.42) APPMEN1MAPTKMT2APOLB
SCHEMBL1226875 0.79 APP (0.42) APPMEN1MAPTKMT2APOLB
Bromide SCHEMBL1243629 0.78 TAAR1 (0.43) MEN1MAPTKMT2AKDM4APOLB

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-2007090765-A2 HIGH CAPACITY OPTICAL STORAGE MEDIA COMPRISING ORGANOMETALLIC ION PAIRS CIBA HOLDING INC. (CH) 2007-08-16 — — WO disclosed
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