SCHEMBL7659202

SCHEMBL7659202

COc1nc(N2C(=O)C3=CC=CCN3C2=O)c(F)cc1C#N

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
KDM4E B2RXH2 3/20 0.31
POLB P06746 2/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL7653354 0.84 KHK (0.41)
SCHEMBL7659198 0.67 AR (0.39) GAAKDM4EPOLBMEN1ALDH1A1
SCHEMBL6186446 0.58 KHK (0.57) GAAKDM4EPOLBMEN1ALDH1A1
SCHEMBL3622824 0.56 ROCK2 (0.46) GAAKDM4EALDH1A1HPGD
SCHEMBL18669574 0.56 GAA (0.37) GAAKDM4EPOLBMEN1ALDH1A1
SCHEMBL30656267 0.56 KDM4E (0.55) GAAKDM4EPOLBMEN1ALDH1A1
SCHEMBL18669448 0.56 GAA (0.36) GAAKDM4EPOLBMEN1ALDH1A1
SCHEMBL33525760 0.55 L3MBTL1 (0.49) GAAKDM4EPOLBMEN1ALDH1A1
SCHEMBL9262255 0.55 GAA (0.57) GAAKDM4EPOLBMEN1ALDH1A1
SCHEMBL29876035 0.55 IDH1 (0.43) GAAKDM4EPOLBMEN1ALDH1A1

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-6380134-B1 USED FOR CONTROLLING WEEDS SYNGENTA CROP PROTECTION, INC. 2002-04-30 US disclosed