SCHEMBL8957221

SCHEMBL8957221

O=C(NCS(=O)(=O)c1ccccc1)c1cc(Cl)nc(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.69
ALDH1A1 P00352 6/20 0.57
TDP1 Q9NUW8 2/20 0.57
TP53 P04637 1/20 0.57
BCHE P06276 4/20 0.53
ACHE P22303 4/20 0.53
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
POLB P06746 2/20 0.44
HTT P42858 2/20 0.44
MCL1 Q07820 1/20 0.44
HSD11B1 P28845 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALOX12 P18054 2/20 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
SCHEMBL11208230 0.82 MAPT (1.00) MAPTALDH1A1TDP1TP53KMT2A
SCHEMBL9427163 0.82 MAPT (0.52) MAPTALDH1A1TDP1TP53KMT2A
SCHEMBL10744485 0.79 PTGS2 (0.63) KMT2AMEN1
SCHEMBL8975296 0.77 BCHE (0.72) ALDH1A1BCHEACHEKMT2AMEN1
SCHEMBL2836336 0.75 BCHE (0.69) BCHEACHEKMT2AMEN1POLB
SCHEMBL15791835 0.73 MAPT (0.70) MAPTALDH1A1TDP1TP53KMT2A
SCHEMBL11306682 0.73 MAPT (0.70) MAPTALDH1A1TDP1TP53KMT2A
SCHEMBL11207452 0.73 ALDH1A1 (1.00) MAPTALDH1A1TDP1TP53KMT2A
SCHEMBL21841445 0.73 BCHE (0.51) ALDH1A1BCHEACHEKMT2AMEN1
SCHEMBL11490893 0.73 BCHE (0.51) MAPTBCHEACHE

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
US-5583151-A PLANT SAFENING AGENTS, FUNGICIDES, MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-10 US disclosed