SCHEMBL8906242

SCHEMBL8906242

CNC(=O)[C@H](Cc1ccccc1F)C(CC(N)=O)c1csc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
CMA1 P23946 1/20 0.37
MAPT P10636 5/20 0.35
MAPK8 P45983 2/20 0.34
JUN P05412 1/20 0.34
MAPK9 P45984 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RAB9A P51151 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
CASP3 P42574 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL8906144 0.85 ALOX5 (0.43) ALOX5MMP2MMP9MMP8CMA1
SCHEMBL8906233 0.81 MMP2 (0.46) MMP2MMP9MMP8MAPTMAPK8
SCHEMBL8906777 0.76 DPP4 (0.38)
SCHEMBL5690336 0.69 ALOX5 (0.59) ALOX5CMA1MAPTMAPK8JUN
SCHEMBL8906236 0.69 MMP9 (0.55) MMP2MMP9MMP8SMN1; SMN2CASP3
SCHEMBL8906136 0.68 MMP2 (0.47) MMP2MMP9MMP8MAPTMAPK8
SCHEMBL13494674 0.66 CTSS (0.46) HPGDGAA
SCHEMBL5557511 0.66 MMP2 (0.54) MMP2MMP9MMP8MAPTMAPK8
SCHEMBL8906770 0.65 CYP19A1 (0.41) MMP2MMP9MMP8
SCHEMBL13494599 0.64 CTSS (0.46) GAA

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-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO disclosed