SCHEMBL8830201

SCHEMBL8830201

C[CH]c1csc(Oc2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LTA4H P09960 2/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HTT P42858 4/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
LMNA P02545 2/20 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
SCHEMBL4535436 0.83 ALDH1A1 (0.46) NPC1RAB9ALTA4HTSHRL3MBTL1
SCHEMBL11049409 0.79 NPC1 (0.36) NPC1RAB9ALTA4HTSHRL3MBTL1
SCHEMBL10919613 0.77 GCK (0.48) NPC1RAB9ALTA4HTSHRL3MBTL1
SCHEMBL6122699 0.73 NPC1 (0.42) NPC1RAB9ALTA4HTSHRL3MBTL1
SCHEMBL9267486 0.73 NPC1 (0.42) NPC1RAB9ALTA4HTSHRL3MBTL1
SCHEMBL8830203 0.72 HCRTR1 (0.43) NPC1RAB9ALTA4HTSHRL3MBTL1
SCHEMBL5461576 0.69 SREBF2 (0.50) NPC1RAB9AL3MBTL1MAPTKMT2A
SCHEMBL5343234 0.69 KDM4E (0.45) L3MBTL1KDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL4533063 0.69 LTA4H (0.43) NPC1RAB9ALTA4HTSHRMAPT
SCHEMBL9198034 0.68 F2 (0.42) NPC1RAB9ALTA4HTSHRL3MBTL1

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-5670526-A ANTIINFLAMMATORY AGENT, IMMUNOSUPPRESSANT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed