SCHEMBL7543732

SCHEMBL7543732

COC(=O)Nc1ccc(OCc2nc3cc(Cl)ccc3o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 3/20 0.58
CETP P11597 9/20 0.56
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
RXFP1 Q9HBX9 1/20 0.50
POLB P06746 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CASP3 P42574 2/20 0.49
SENP7 Q9BQF6 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 1/20 0.47

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
SCHEMBL7550212 0.89 RAB9A (0.51) AGPAT2CETPMAPTSMN1; SMN2RXFP1
SCHEMBL7543368 0.88 AGPAT2 (0.57) AGPAT2CETPMAPTSMN1; SMN2POLB
SCHEMBL7544185 0.87 MAPT (0.49) AGPAT2CETPMAPTSMN1; SMN2RXFP1
SCHEMBL7545924 0.86 MAPT (0.47) AGPAT2CETPMAPTSMN1; SMN2NPC1
SCHEMBL7544792 0.85 AGPAT2 (0.51) AGPAT2CETPMAPTSMN1; SMN2RXFP1
SCHEMBL7544976 0.84 AGPAT2 (0.58) AGPAT2CETPMAPTSMN1; SMN2NPC1
SCHEMBL7542952 0.84 SMN1; SMN2 (0.57) AGPAT2MAPTSMN1; SMN2POLBNPC1
SCHEMBL7548776 0.84 MAPT (0.46) AGPAT2CETPMAPTSMN1; SMN2POLB
SCHEMBL7545883 0.83 CETP (0.50) CETPMAPTSMN1; SMN2POLBNPC1
SCHEMBL7542964 0.81 MAPT (0.56) AGPAT2CETPMAPTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0795550-B1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO CO (JP) 2002-06-05 EP disclosed
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed