SCHEMBL6971704

SCHEMBL6971704

CNC(=S)c1c[c]ccc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GLA P06280 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL6967633 0.79 POLB (0.42) GAANPSR1TDP1ALDH1A1HPGD
SCHEMBL6971199 0.79 NPSR1 (0.34) GAANPSR1TDP1ALDH1A1HPGD
SCHEMBL161002 0.76 HDAC8 (0.48) GAAHPGD
SCHEMBL6971685 0.74 GAA (0.39) GAANPC1HPGDRAB9A
SCHEMBL1379363 0.73 NPC1 (0.52) GAANPSR1TDP1GLACACNA1B
SCHEMBL6971606 0.72
SCHEMBL8994450 0.71 ALDH1A1 (0.35) GAATDP1ALDH1A1HPGD
SCHEMBL9629049 0.70 GAA (0.46) GAAALDH1A1NPC1HPGDRAB9A
SCHEMBL6960682 0.69 MAPT (0.53) GAAALDH1A1NPC1HPGDRAB9A
SCHEMBL10644432 0.68

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
CN-1205181-C Matrix metalloproteinase inhibitors LEO PHARMACEUTICAL PRODUOTS LT (DK) 2005-06-08 CN disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed