SCHEMBL9529702

SCHEMBL9529702

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
RAB9A P51151 2/20 0.49
RECQL P46063 1/20 0.49
NPC1 O15118 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CNR1 P21554 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 4/20 0.43
HPGD P15428 1/20 0.41
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD11B1 P28845 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL10431198 0.83 CTSK (0.39) CTSVCTSLCTSBCTSSCTSK
SCHEMBL10431205 0.81 CTSL (0.40) CTSVCTSLCTSBCTSSCTSK
SCHEMBL13754002 0.81 NPC1 (0.59) RAB9ARECQLNPC1L3MBTL1CNR1
SCHEMBL10431489 0.80 CTSK (0.38) CTSVCTSLCTSBCTSSCTSK
SCHEMBL19113898 0.79 RAB9A (0.51) RAB9ARECQLNPC1L3MBTL1CNR1
SCHEMBL9328693 0.78 RAB9A (0.50) RAB9ARECQLNPC1L3MBTL1CNR1
SCHEMBL9530246 0.77 NPC1 (0.42) CTSVCTSLCTSBCTSSCTSK
SCHEMBL405248 0.77 ALDH1A1 (0.70) RAB9ARECQLNPC1L3MBTL1CNR1
SCHEMBL14260717 0.74 ALDH1A1 (0.57) RAB9ARECQLNPC1L3MBTL1CNR1
SCHEMBL12669759 0.74 RAB9A (0.53) RAB9ARECQLNPC1L3MBTL1CNR1

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 4 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-0313091-A2 Amide derivatives, processes for production thereof, and agricultural-horticultural fungicide containing them MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-04-26 EP disclosed