SCHEMBL9528349

SCHEMBL9528349

Cc1nc(Cl)sc1C(=O)NC(C#N)c1ccco1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 6/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
PKM P14618 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.43
AHR P35869 1/20 0.42
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
LCK P06239 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL8799757 0.89 LMNA (0.51) ALDH1A1KMT2AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL8799762 0.79 MEN1 (0.39) ALDH1A1KMT2AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL9532579 0.76 RAB9A (0.37) ALDH1A1KMT2AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL9645999 0.76 ALDH1A1 (0.38) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL9755465 0.76 HSD11B1 (0.36) ALDH1A1KMT2AL3MBTL1SMN1; SMN2MAPT
SCHEMBL9533252 0.75 HTT (0.35) ALDH1A1KMT2AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL9786414 0.74 LMNA (0.34) ALDH1A1KMT2AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL10653073 0.74 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EMAPTPKM
SCHEMBL10665838 0.74 CTSV (0.46) ALDH1A1KMT2AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL9530946 0.73 MME (0.36) ALDH1A1KMT2AL3MBTL1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2149572-A None JP disclosed
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
JP-H02149572-A NEW AMIDE DERIVATIVE, ITS PRODUCTION AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE CONTAINING THE SAME MITSUI TOATSU CHEM INC 1990-06-08 JP 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