SCHEMBL17529326

SCHEMBL17529326

C=Cc1ccc(C)c(S(C)(=O)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 3/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 6/20 0.37
LMNA P02545 2/20 0.34
TRPA1 O75762 1/20 0.34
POLB P06746 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL11575237 0.83 TDP1 (0.38) L3MBTL1TDP1TP53ALDH1A1LMNA
SCHEMBL11873084 0.83 TDP1 (0.50) L3MBTL1TDP1TP53ALDH1A1LMNA
SCHEMBL28606713 0.83 BRD4 (0.45) TDP1TP53ALDH1A1TRPA1KDM4E
SCHEMBL6432106 0.82 CYP2A6 (0.41) L3MBTL1TDP1ALDH1A1LMNAPOLB
SCHEMBL10686492 0.81 LMNA (0.44) TDP1TP53ALDH1A1LMNATRPA1
SCHEMBL16019390 0.75 TDP1 (0.34) TDP1TP53ALDH1A1TRPA1
SCHEMBL801935 0.73 ALDH1A1 (0.49) L3MBTL1TDP1ALDH1A1LMNAGAA
SCHEMBL29407001 0.72 ALDH1A1 (0.50) TDP1TP53ALDH1A1LMNATRPA1
SCHEMBL293173 0.72 ALDH1A1 (0.50) TDP1TP53ALDH1A1LMNATRPA1
SCHEMBL11128225 0.72 TDP1 (0.50) L3MBTL1TDP1TP53ALDH1A1TRPA1

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-2763968-B1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LTD (GB) 2016-02-24 EP disclosed