SCHEMBL9533252

SCHEMBL9533252

Cc1nscc1C(=O)NC(C#N)c1ccco1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
ALOX5 P09917 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
TP53 P04637 4/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
BACE1 P56817 1/20 0.32

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
SCHEMBL10921927 0.79 CYP1A2 (0.48) SMN1; SMN2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL10665838 0.78 CTSV (0.46) SMN1; SMN2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL9786414 0.78 LMNA (0.34) HTTALOX5SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL8799757 0.76 LMNA (0.51) HTTSMN1; SMN2L3MBTL1ALDH1A1MEN1
SCHEMBL9530946 0.76 MME (0.36) HTTALOX5SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9528349 0.75 ALDH1A1 (0.51) SMN1; SMN2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL9644142 0.74 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1MEN1KMT2ATP53
SCHEMBL9345773 0.73 KMT2A (0.42) HTTALOX5SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL10653073 0.73 ALDH1A1 (0.41) ALOX5ALDH1A1MEN1KMT2ATP53
SCHEMBL10922453 0.72 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1ALDH1A1MEN1KMT2A

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