SCHEMBL20104490

SCHEMBL20104490

Cc1c(Cl)nsc1C(=O)Nc1ccccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
GAA P10253 6/20 0.48
KDM4E B2RXH2 6/20 0.48
HPGD P15428 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 3/20 0.45
KMT2A Q03164 3/20 0.45
ALOX15 P16050 2/20 0.45
HTT P42858 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
USP2 O75604 1/20 0.44
EPHB3 P54753 1/20 0.44
NLRP3 Q96P20 1/20 0.43

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
SCHEMBL22380 0.87 ALDH1A1 (0.48) ALDH1A1GAAKDM4EHPGDL3MBTL1
SCHEMBL29395460 0.87 ALDH1A1 (0.48) ALDH1A1GAAKDM4EHPGDL3MBTL1
SCHEMBL16369377 0.85 GAA (0.48) ALDH1A1GAAKDM4EHPGDL3MBTL1
SCHEMBL24161671 0.84 GAA (0.47) ALDH1A1GAAKDM4EHPGDL3MBTL1
SCHEMBL4149781 0.80 KDM4E (0.48) ALDH1A1GAAKDM4EHPGDL3MBTL1
SCHEMBL24093709 0.77 KDM4E (0.49) ALDH1A1GAAKDM4EHPGDL3MBTL1
SCHEMBL27685958 0.77 KDM4E (0.46) ALDH1A1GAAKDM4EHPGDL3MBTL1
SCHEMBL14606143 0.75 ALDH1A1 (0.43) ALDH1A1GAAKDM4EHPGDL3MBTL1
SCHEMBL5081987 0.74 KDM4E (0.48) ALDH1A1GAAKDM4EHPGDL3MBTL1
Cartap SCHEMBL19520371 0.74 L3MBTL1 (0.38) ALDH1A1GAAKDM4EHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018077711-A2 USE OF PYRAZIFLUMID FOR CONTROLLING SCLEROTINIA SPP IN SEED TREATMENT APPLICATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-03 WO disclosed