SCHEMBL9530246

SCHEMBL9530246

Cc1nc(C)c(C(=O)NCOC(C)C#N)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.41
RECQL P46063 1/20 0.41
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 3/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL9529702 0.77 CTSV (0.51) NPC1RAB9ARECQLCTSVCTSL
SCHEMBL9530232 0.74 NPC1 (0.48) NPC1RAB9ARECQLCTSVCTSL
SCHEMBL13754002 0.72 NPC1 (0.59) NPC1RAB9ARECQLL3MBTL1CNR1
SCHEMBL19113898 0.70 RAB9A (0.51) NPC1RAB9ARECQLL3MBTL1CNR1
SCHEMBL9328693 0.69 RAB9A (0.50) NPC1RAB9ARECQLL3MBTL1CNR1
SCHEMBL405248 0.68 ALDH1A1 (0.70) NPC1RAB9ARECQLL3MBTL1CNR1
SCHEMBL9812885 0.68 GAA (0.47) NPC1RAB9ACTSLCTSBCTSS
SCHEMBL10431205 0.67 CTSL (0.40) NPC1RAB9ARECQLCTSVCTSL
SCHEMBL10338336 0.67 L3MBTL1 (0.43) NPC1RAB9ARECQLCTSVCTSL
SCHEMBL14260717 0.66 ALDH1A1 (0.57) NPC1RAB9ARECQLL3MBTL1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313091-B1 AMIDE DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF, AND AGRICULTURAL-HORTICULTURAL FUNGICIDE CONTAINING THEM MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-09-01 EP disclosed
CN-1066363-A MICROBICIDES COMPOSITION FOR AGRICULTURE-HORTICULTURE MITSUI TOATSU CHEMICALS (JP) 1992-11-25 CN disclosed
CN-1018828-B Process for preparing thiazole or isothiazole amide derivatives MITSUI TOATSU CHEMICALS (JP) 1992-10-28 CN disclosed
US-5104886-A Syntergistic mixtures of amide substituted thiazoles and other fungicides MITSUI TOATSU CHEMICALS, INC. (JP) 1992-04-14 US disclosed
US-4980363-A CONTROLLING PLANT DISEASES MITSUI TOATSU CHEMICALS, INC. (JP) 1990-12-25 US disclosed
CN-1035826-A Novel amide derivative and agricultural-horticultural fungicide containing the same MITSUI TOATSU CHEMICALS (JP) 1989-09-27 CN disclosed
EP-0313091-A2 Amide derivatives, processes for production thereof, and agricultural-horticultural fungicide containing them MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-04-26 EP disclosed