SCHEMBL7542964

SCHEMBL7542964

COC(=O)Nc1ccc(OCc2nc3ccc(C)cc3o2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
POLB P06746 1/20 0.56
AGPAT2 O15120 4/20 0.55
TP53 P04637 3/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 3/20 0.48
CETP P11597 1/20 0.46
KMT2A Q03164 1/20 0.45
THRB P10828 1/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL7543368 0.91 AGPAT2 (0.57) MAPTSMN1; SMN2POLBAGPAT2TP53
SCHEMBL7551347 0.88 SMN1; SMN2 (0.47) MAPTSMN1; SMN2POLBAGPAT2TP53
SCHEMBL7541707 0.87 MAPT (0.52) MAPTSMN1; SMN2POLBTP53NPC1
SCHEMBL7550333 0.87 MAPT (0.46) MAPTSMN1; SMN2POLBAGPAT2TP53
SCHEMBL7542952 0.85 SMN1; SMN2 (0.57) MAPTSMN1; SMN2POLBAGPAT2TP53
SCHEMBL7550212 0.83 RAB9A (0.51) MAPTSMN1; SMN2POLBAGPAT2TP53
SCHEMBL7543927 0.81 MAPT (0.56) MAPTSMN1; SMN2POLBTP53NPC1
SCHEMBL7543732 0.81 AGPAT2 (0.58) MAPTSMN1; SMN2POLBAGPAT2NPC1
SCHEMBL7544185 0.81 MAPT (0.49) MAPTSMN1; SMN2POLBAGPAT2TP53
SCHEMBL7545924 0.81 MAPT (0.47) MAPTSMN1; SMN2AGPAT2NPC1RAB9A

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
US-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 US disclosed