SCHEMBL3226013

SCHEMBL3226013

C[C]1N=CC=C2C1=Nc1ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
TSHR P16473 1/20 0.33
HK1 P19367 1/20 0.33
GALK1 P51570 1/20 0.33
KMT2A Q03164 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.31
FLT3 P36888 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
CDK5 Q00535 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
SCHEMBL1120300 0.80 MAPT (0.40) IDO1LMNAMAPTKDM4EMEN1
SCHEMBL29352286 0.80 MAPT (0.40) IDO1LMNAMAPTKDM4EMEN1
SCHEMBL30168823 0.73 IDO1 (0.33) IDO1
SCHEMBL8905893 0.73 IDO1 (0.33) IDO1
SCHEMBL27840600 0.72 IDO1 (0.32) IDO1
SCHEMBL3302641 0.71 IDO1 (0.41) IDO1LMNAMAPTKDM4EMEN1
SCHEMBL6573768 0.70 MEN1 (0.41) IDO1LMNAMAPTKDM4EMEN1
Trifluoroacetic Acid SCHEMBL6241485 0.69 MAPT (0.35) IDO1LMNAMAPTKDM4EMEN1
SCHEMBL20595301 0.68 IDO1 (0.40) IDO1LMNAMAPTKDM4EMEN1
SCHEMBL4515365 0.66 IDO1 (0.54) IDO1LMNAMAPTKDM4EMEN1

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
US-20100069521-A1 ADDITIVE COMPOSITION FOR INCREASING THE STORAGE STABILITY OF ETHYLENICALLY UNSATURATED RESINS JUNG TUNJA 2010-03-18 US disclosed