SCHEMBL10273094

SCHEMBL10273094

C[S+]([O-])c1bccc(-c2cn(Cc3ccccc3C#N)c(=O)n2-c2ccc(F)cc2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
TACR1 P25103 2/20 0.33
USP7 Q93009 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GALR3 O60755 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 2/20 0.31
THRB P10828 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GPR55 Q9Y2T6 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
SCHEMBL750351 0.84 USP7 (0.34) MAPTTACR1USP7TP53ALDH1A1
SCHEMBL12714509 0.79 TP53 (0.33) MAPTTACR1USP7TP53ALDH1A1
SCHEMBL750140 0.77 MAPT (0.35) MAPTTACR1USP7TP53ALDH1A1
SCHEMBL751631 0.75 TACR1 (0.36) MAPTTACR1USP7TP53ALDH1A1
SCHEMBL752271 0.72 DYRK1B (0.40) MAPTUSP7ALDH1A1SMN1; SMN2GALR3
SCHEMBL751894 0.70 USP7 (0.38) MAPTTACR1USP7TP53ALDH1A1
SCHEMBL752508 0.70 RIPK3 (0.46) MAPTTACR1USP7ALDH1A1SMN1; SMN2
SCHEMBL750203 0.67 GRIN1 (0.40) ALDH1A1SMN1; SMN2GALR3RAB9ATSHR
SCHEMBL753472 0.67 RIPK3 (0.39) MAPTTACR1USP7TSHRGRIN1
SCHEMBL749861 0.67 TSHR (0.37) MAPTTACR1USP7ALDH1A1SMN1; SMN2

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-1439174-B1 4-IMIDAZOLIN-2-ONE COMPOUNDS AS p38 MAP KINASE INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-21 EP disclosed