SCHEMBL28647073

SCHEMBL28647073

O=C1C=CC(=O)C(NCl)=C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ RECQL P46063 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ ERBB2 P04626 1/20 0.37
▸ MAOA P21397 4/20 0.37
▸ MAOB P27338 4/20 0.37
▸ ACHE P22303 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ BCHE P06276 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ DHODH Q02127 1/20 0.37

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
SCHEMBL9134809 0.76 ALDH1A1 (0.40) TDP1ALDH1A1RECQLMEN1MAPT
SCHEMBL27594442 0.76 TDP1 (0.40) TDP1ALDH1A1RECQLMEN1MAPT
SCHEMBL16887861 0.76 ALDH1A1 (0.40) TDP1ALDH1A1RECQLMEN1MAPT
SCHEMBL7606757 0.76 ERBB2 (0.41) TDP1ALDH1A1RECQLMEN1MAPT
SCHEMBL27992527 0.72 ALDH1A1 (0.37) TDP1ALDH1A1RECQLMEN1MAPT
SCHEMBL15630516 0.70 ALDH1A1 (0.36) TDP1ALDH1A1RECQLMEN1MAPT
SCHEMBL16887859 0.70 ALDH1A1 (0.36) TDP1ALDH1A1RECQLMEN1MAPT
SCHEMBL10567292 0.70 ALDH1A1 (0.36) TDP1ALDH1A1RECQLMEN1MAPT
SCHEMBL21814436 0.70 ACHE (0.38) TDP1ALDH1A1RECQLMEN1MAPT
SCHEMBL9560460 0.69 IDO1 (0.49) TDP1ALDH1A1RECQLMEN1MAPT

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
CN-107835639-B Herbicidal composition comprising cinmethylin and pendimethalin 巴斯夫农业公司 2021-10-26 — — CN disclosed
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