SCHEMBL3789333

SCHEMBL3789333

c1ccc2[nH]c(CSc3nccs3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 1.00
LMNA P02545 7/20 0.63
HTT P42858 2/20 0.63
MAPT P10636 1/20 0.63
NPC1 O15118 6/20 0.62
RAB9A P51151 6/20 0.62
ABL1 P00519 1/20 0.60
RIN1 Q13671 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.55
HSD17B10 Q99714 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL6485274 0.79 NPC1 (0.73) SMN1; SMN2LMNAHTTMAPTNPC1
SCHEMBL14076317 0.77 LMNA (0.67) SMN1; SMN2LMNAHTTMAPTNPC1
SCHEMBL3796033 0.77 SMN1; SMN2 (1.00) SMN1; SMN2LMNAHTTMAPTNPC1
SCHEMBL600508 0.77 NPC1 (1.00) SMN1; SMN2LMNAHTTMAPTNPC1
SCHEMBL3293156 0.77 SMN1; SMN2 (0.62) SMN1; SMN2LMNANPC1RAB9APOLB
SCHEMBL10532248 0.77 SMN1; SMN2 (0.62) SMN1; SMN2MAPTNPC1RAB9ACYP1A2
SCHEMBL3429462 0.75 SMN1; SMN2 (1.00) SMN1; SMN2LMNAHTTMAPTNPC1
SCHEMBL3065316 0.74 SMN1; SMN2 (0.69) SMN1; SMN2LMNAHTTMAPTNPC1
SCHEMBL3079520 0.74 SMN1; SMN2 (0.83) SMN1; SMN2LMNAHTTMAPTNPC1
SCHEMBL26762334 0.72 RAB9A (0.59) SMN1; SMN2LMNAHTTMAPTNPC1

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
WO-2010127878-A2 USE OF THIABENDAZOLE AND DERIVATIVES THEREOF FOR THE THERAPHY OF NEUROLOGICAL CONDITIONS SYGNIS BIOSCIENCE GMBH & CO. KG (DE) 2010-11-11 WO claimed
WO-2010127878-A2 USE OF THIABENDAZOLE AND DERIVATIVES THEREOF FOR THE THERAPHY OF NEUROLOGICAL CONDITIONS SYGNIS BIOSCIENCE GMBH & CO. KG (DE) 2010-11-11 WO disclosed