SCHEMBL1936056

SCHEMBL1936056

O=C(NC1CSC1=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
POLB P06746 1/20 0.56
PKM P14618 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPK1 P28482 1/20 0.55
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 2/20 0.48
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL3462955 0.83 ALDH1A1 (1.00) ALDH1A1POLBPKMKMT2AMAPK1
SCHEMBL11840921 0.77 ALDH1A1 (0.68) ALDH1A1POLBPKMKMT2AMAPK1
SCHEMBL15688484 0.77 NPC1 (0.56) ALDH1A1PKMKMT2AKDM4EMEN1
SCHEMBL4827943 0.75 ALDH1A1 (0.56) ALDH1A1POLBPKMKMT2AMAPK1
SCHEMBL11903535 0.74 DDB1 (0.65) ALDH1A1POLBPKMKMT2AMAPK1
SCHEMBL11454909 0.72 DDB1 (0.59) ALDH1A1PKMDDB1CRBNMAPT
SCHEMBL30597578 0.72 POLB (1.00) ALDH1A1POLBPKMKMT2AMAPK1
SCHEMBL14721792 0.71 DPP7 (0.46) ALDH1A1POLBKMT2AMAPK1MEN1
SCHEMBL7345968 0.70 HTT (0.60) ALDH1A1PKMKMT2ADDB1CRBN
SCHEMBL10454044 0.70 ALDH1A1 (0.55) ALDH1A1KMT2ADDB1CRBNMEN1

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
EP-2331515-A1 INSCETICIDAL COMPOUNDS Syngenta Participations AG (CH) 2011-06-15 EP disclosed