SCHEMBL9775529

SCHEMBL9775529

O=C(O)/C(Br)=C/c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
RAD51 Q06609 2/20 0.35
BCL2A1 Q16548 1/20 0.34
ALKBH5 Q6P6C2 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
SCHEMBL3676777 0.86 PPOX (0.39) PPOXCA12CA1CA9
SCHEMBL3676781 0.86 PPOX (0.39) PPOXCA12CA1CA9
SCHEMBL7961482 0.83 PPOX (0.38) PPOXBCL2A1
SCHEMBL7961485 0.83 PPOX (0.38) PPOXBCL2A1
SCHEMBL24293381 0.81 PPOX (0.40) PPOXCA9RAD51BCL2A1
SCHEMBL24293385 0.81 PPOX (0.38) PPOXRAD51BCL2A1
SCHEMBL25395175 0.80 PTGDR (0.42) PPOXCA12CA1CA9
SCHEMBL8011328 0.80 PTGDR (0.42) PPOXCA12CA1CA9
SCHEMBL8011326 0.80 PTGDR (0.42) PPOXCA12CA1CA9
SCHEMBL7162462 0.79 PPOX (0.45) PPOXRAD51BCL2A1

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-5009701-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed