SCHEMBL29135322

SCHEMBL29135322

O=C1C(F)CCN1c1nccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
POLB P06746 3/20 0.51
APEX1 P27695 1/20 0.51
RECQL P46063 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
KDM4C Q9H3R0 1/20 0.44
MAPT P10636 6/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.39

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
SCHEMBL7624256 0.81 TDP1 (0.51) TDP1L3MBTL1POLBAPEX1RECQL
SCHEMBL7624265 0.81 TDP1 (0.51) TDP1L3MBTL1POLBAPEX1RECQL
SCHEMBL7624260 0.81 TDP1 (0.51) TDP1L3MBTL1POLBAPEX1RECQL
SCHEMBL6365294 0.74 CA12 (0.55) TDP1L3MBTL1POLBAPEX1RECQL
SCHEMBL14171596 0.73 CA12 (0.51) TDP1L3MBTL1POLBAPEX1RECQL
Bromide SCHEMBL7614674 0.72 L3MBTL1 (0.46) TDP1L3MBTL1POLBAPEX1RECQL
Bromide SCHEMBL7614677 0.72 L3MBTL1 (0.46) TDP1L3MBTL1POLBAPEX1RECQL
SCHEMBL14171431 0.72 CA12 (0.50) TDP1L3MBTL1POLBAPEX1RECQL
SCHEMBL1583593 0.71 TDP1 (0.44) TDP1L3MBTL1POLBAPEX1RECQL
SCHEMBL2043174 0.71 KDM4C (0.48) TDP1L3MBTL1POLBAPEX1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119789785-A Agrochemical formulations 先正达农作物保护股份公司 2025-04-08 CN disclosed
CN-118871441-A Pyrazole compound and pest control agent containing same as active ingredient 三井化学植保株式会社 2024-10-29 CN disclosed
CN-117126256-B Function of PH domain and START domain on plant pathogenic oomycete oxidized sterol binding protein and application thereof 中国农业大学 2024-06-11 CN disclosed
CN-117126256-A Function of PH domain and START domain on plant pathogenic oomycete oxidized sterol binding protein and application thereof 中国农业大学 2023-11-28 CN disclosed