SCHEMBL7908092

SCHEMBL7908092

O=S(=O)(Cl)c1ncccc1C1=NOCCO1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
ABL1 P00519 1/20 0.32
PLCG1 P19174 1/20 0.32
CES1 P23141 1/20 0.32
PAX8 Q06710 1/20 0.32
RIN1 Q13671 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
S100A4 P26447 1/20 0.31
CDC25B P30305 1/20 0.31
TRPV4 Q9HBA0 1/20 0.30

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
SCHEMBL3776593 0.86 CA1 (0.33) TDP2NSD2ABL1PLCG1CES1
SCHEMBL3783324 0.86 TDP1 (0.32) TDP2NSD2ABL1PLCG1CES1
SCHEMBL8633493 0.80
SCHEMBL12893743 0.78 TDP2 (0.33) TDP2NSD2ABL1PLCG1CES1
SCHEMBL13242890 0.77 MKNK1 (0.36) S100A4CDC25B
SCHEMBL13266783 0.74
SCHEMBL19417734 0.74 TDP2 (0.30) TDP2NSD2ABL1PLCG1CES1
SCHEMBL8633546 0.73 SLC40A1 (0.33) TDP2MEN1KMT2AGAA
SCHEMBL15244181 0.73
SCHEMBL3781332 0.71 CDC25B (0.33) BLMCDC25B

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-6200931-B1 FOR CONTROLLING WEEDS BAYER AKTIENGESELLSCHAFT (DE) 2001-03-13 US disclosed