SCHEMBL9530232

SCHEMBL9530232

CCOC(C#N)NC(=O)c1sc(C)nc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
RAB9A P51151 2/20 0.41
RECQL P46063 1/20 0.41
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
KLKB1 P03952 1/20 0.38
GAA P10253 4/20 0.37
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 3/20 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
SCHEMBL10431288 0.86 NPC1 (0.35) NPC1CTSVCTSLCTSBCTSS
SCHEMBL10431301 0.78 NPC1 (0.32) NPC1CTSVCTSLCTSBCTSS
SCHEMBL9530246 0.74 NPC1 (0.42) NPC1CTSVCTSLCTSBCTSS
SCHEMBL10338336 0.72 L3MBTL1 (0.43) NPC1CTSVCTSLCTSBCTSS
SCHEMBL9529702 0.71 CTSV (0.51) NPC1CTSVCTSLCTSBCTSS
SCHEMBL10450440 0.70 MAPT (0.48) NPC1CTSVCTSLCTSBCTSS
SCHEMBL13754002 0.69 NPC1 (0.59) NPC1RAB9ARECQLL3MBTL1CNR1
SCHEMBL10431170 0.68 MAPT (0.38) NPC1RAB9ASMN1; SMN2TP53GAA
SCHEMBL405248 0.68 ALDH1A1 (0.70) NPC1RAB9ARECQLL3MBTL1CNR1
SCHEMBL8814094 0.68 RAB9A (0.43) NPC1CTSVCTSLCTSBCTSS

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 5 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
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
EP-0350946-A2 Amide derivatives, and their production and agricultural and horticultural fungicides containing them SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-01-17 EP 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