SCHEMBL11113900

SCHEMBL11113900

O=C(NC1CCSC1=O)c1cccs1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.78
ELANE P08246 1/20 0.65
ALDH1A1 P00352 5/20 0.62
POLB P06746 1/20 0.61
TSHR P16473 2/20 0.57
HSD17B10 Q99714 2/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
HPGD P15428 2/20 0.56
RAB9A P51151 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPC1 O15118 1/20 0.56
PKM P14618 1/20 0.54
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.49

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
Midesteine SCHEMBL724755 0.79 ELANE (1.00) MAPK1ELANEALDH1A1POLBHSD17B10
SCHEMBL3462955 0.77 ALDH1A1 (1.00) MAPK1ALDH1A1POLBHSD17B10KMT2A
SCHEMBL9356448 0.77 ELANE (0.81) MAPK1ELANEALDH1A1POLBHSD17B10
SCHEMBL825926 0.76 RAB9A (0.84) ALDH1A1TSHRHSD17B10KMT2AMEN1
SCHEMBL30597578 0.76 POLB (1.00) MAPK1ALDH1A1POLBHSD17B10KMT2A
SCHEMBL30597589 0.74 POLB (0.82) MAPK1ALDH1A1POLBHSD17B10KMT2A
SCHEMBL14830534 0.73 KMT2A (0.72) MAPK1ALDH1A1POLBKMT2AMEN1
SCHEMBL10511025 0.73 KMT2A (0.72) MAPK1ALDH1A1POLBKMT2AMEN1
SCHEMBL10589133 0.73 ELANE (0.57) MAPK1ELANEALDH1A1POLBRAB9A
SCHEMBL12181432 0.73 RAB9A (0.90) ALDH1A1TSHRHSD17B10KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0120359-A1 Tetrahydrothiophenone derivative active in respiratory system affections YASON S.r.l (IT) 1984-10-03 EP claimed
EP-0120359-A1 Tetrahydrothiophenone derivative active in respiratory system affections YASON S.r.l (IT) 1984-10-03 EP disclosed