SCHEMBL7541102

SCHEMBL7541102

CC(=O)Nc1ccc(OCc2nc3cc([N+](=O)[O-])ccc3o2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
POLB P06746 1/20 0.45
CETP P11597 1/20 0.45
CEPT1 Q9Y6K0 1/20 0.45
CYP19A1 P11511 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
GSTP1 P09211 1/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL7542942 0.86 AGPAT2 (0.43) NPC1RAB9ACETPCEPT1SMN1; SMN2
SCHEMBL7548836 0.85 MAPT (0.46) NPC1RAB9ACEPT1SMN1; SMN2MAPT
SCHEMBL7541140 0.84 LMNA (0.53) NPC1RAB9APOLBCETPSMN1; SMN2
SCHEMBL7547636 0.84 DRD2 (0.46) CEPT1GSTP1MAPTTP53LMNA
SCHEMBL7542425 0.83 ALOX5 (0.48) NPC1RAB9APOLBMAPTMEN1
SCHEMBL7541702 0.83 MAPT (0.45) NPC1RAB9APOLBSMN1; SMN2GSTP1
SCHEMBL7541056 0.82 CETP (0.44) CETPGSTP1CYP2C9CYP2C19
SCHEMBL7544004 0.80 MAPT (0.46) NPC1RAB9APOLBCETPSMN1; SMN2
SCHEMBL7545883 0.80 CETP (0.50) NPC1RAB9APOLBCETPCEPT1
SCHEMBL7544961 0.79 RAB9A (0.47) NPC1RAB9APOLBSMN1; SMN2MAPT

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 3 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
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed