SCHEMBL5823141

SCHEMBL5823141

NC(=O)N(S)c1ccc2[nH]ncc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.47
ROCK1 Q13464 5/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NEK2 P51955 1/20 0.45
NOS1 P29475 4/20 0.44
METAP2 P50579 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CTNNB1 P35222 3/20 0.43
WNT3A P56704 3/20 0.43
POLB P06746 2/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL5823007 0.88 MAPT (0.47) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL28922588 0.76 LCK (0.35) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL14642595 0.75 ROCK2 (0.53) ROCK2ROCK1RAB9AMAPTKDM4E
SCHEMBL1122014 0.75 F2 (0.46) RAB9AMAPTGAACTNNB1WNT3A
SCHEMBL6816789 0.73 ROCK2 (0.59) ROCK2ROCK1RAB9AMEN1KMT2A
SCHEMBL6083112 0.73 AR (0.51) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL5799577 0.72 AR (0.63) ROCK2ROCK1RAB9AMAPTKDM4E
SCHEMBL1419814 0.72 AR (0.63) ROCK2ROCK1RAB9AMAPTKDM4E
SCHEMBL29949712 0.72 AR (0.63) ROCK2ROCK1RAB9AMAPTKDM4E
SCHEMBL3105606 0.72 ROCK2 (0.53) ROCK2ROCK1RAB9AMAPTKDM4E

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-2006135383-A2 INDAZOLES MYRIAD GENETICS, INC. (US) 2006-12-21 WO disclosed