SCHEMBL11414331

SCHEMBL11414331

CNC(=S)NNc1ccc(C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.47
ALDH1A1 P00352 5/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
PTGS2 P35354 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 5/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CCR6 P51684 1/20 0.41
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7840142 0.82 PTGS2 (0.48) GAAALDH1A1PKMMAPK1PTGS2
SCHEMBL10348335 0.81 GAA (0.63) GAAALDH1A1MAPK1PTGS2NPSR1
SCHEMBL2590098 0.78 CYP1A2 (0.64) GAAALDH1A1NPSR1TDP1MEN1
SCHEMBL1520890 0.77 GAA (0.61) GAAALDH1A1PTGS2NPSR1TDP1
SCHEMBL10759919 0.73 MAPT (0.59) GAAALDH1A1NPSR1MEN1KMT2A
SCHEMBL9462101 0.71 PTGS2 (0.60) GAAALDH1A1PKMPTGS2TDP1
SCHEMBL11592594 0.71 PTGS2 (0.66) GAAALDH1A1PKMPTGS2TDP1
SCHEMBL2683360 0.71 TDP1 (0.57) GAAALDH1A1PKMMAPK1PTGS2
SCHEMBL25943052 0.71 GAA (0.65) GAAALDH1A1PTGS2NPSR1TDP1
SCHEMBL11414330 0.71 GAA (0.70) GAAALDH1A1TDP1MEN1KMT2A

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-4199413-A TIN SALT LAYER GIVES HIGH DENSITY IMAGES MITA INDUSTRIAL COMPANY LIMITED (JP) 1980-04-22 US disclosed