SCHEMBL29851024

SCHEMBL29851024

O=C1CS(=O)(=O)Nc2ccc(C(F)(F)F)cc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.41
PARP10 Q53GL7 1/20 0.41
TDP2 O95551 1/20 0.38
ATM Q13315 1/20 0.37
NOTUM Q6P988 1/20 0.37
SLC40A1 Q9NP59 4/20 0.36
RELA Q04206 3/20 0.36
NFKBIA P25963 2/20 0.36
KIF11 P52732 4/20 0.36
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL21530541 1.00 PARP1 (0.41) PARP1PARP10TDP2ATMNOTUM
SCHEMBL22326600 0.79 TDP2 (0.41) PARP1PARP10TDP2SLC40A1RELA
SCHEMBL21530513 0.79 CA1 (0.42) PARP1PARP10SLC40A1RELANFKBIA
SCHEMBL11713736 0.78 KDM4E (0.42) KMT2AMEN1
SCHEMBL6679458 0.76 TGM2 (0.43) PARP1TDP2NFKB1CA1CA2
SCHEMBL21032158 0.72 VEGFA (0.50) PARP1PARP10TDP2ATMSLC40A1
SCHEMBL21530478 0.72 PDE3B (0.55) CA1CA2KMT2A
SCHEMBL12894753 0.71 PARP10 (0.58) PARP1PARP10TDP2ATMNOTUM
SCHEMBL6309542 0.71 PDE7A (0.50) CA1CA2KMT2AMEN1
SCHEMBL21032467 0.69 TDP2 (0.41) PARP1PARP10TDP2ATMSLC40A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476606-B Benzosultams and analogs and their use as fungicides 拜耳作物科学股份公司 2023-01-20 CN claimed
EP-3478659-B1 BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2022-08-17 EP claimed
CN-109476606-B Benzosultams and analogs and their use as fungicides 拜耳作物科学股份公司 2023-01-20 CN disclosed