SCHEMBL1813249

SCHEMBL1813249

COC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.81
NPC1 O15118 4/20 0.81
POLB P06746 2/20 0.81
PKM P14618 1/20 0.81
KCNK3 O14649 2/20 0.70
KCNK9 Q9NPC2 2/20 0.70
KMT2A Q03164 5/20 0.69
MEN1 O00255 4/20 0.69
KDM4E B2RXH2 2/20 0.67
MAPT P10636 5/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
ALDH1A1 P00352 2/20 0.60
PTGES O14684 1/20 0.60
HPGD P15428 1/20 0.60
TP53 P04637 1/20 0.59

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
SCHEMBL2263282 0.93 RAB9A (0.71) RAB9ANPC1POLBPKMKCNK3
SCHEMBL14096355 0.87 ALDH1A1 (0.80) RAB9ANPC1POLBPKMKMT2A
SCHEMBL2011651 0.87 RAB9A (0.77) RAB9ANPC1POLBPKMKCNK3
SCHEMBL3592038 0.84 RAB9A (0.78) RAB9ANPC1POLBPKMKCNK3
SCHEMBL1811041 0.84 KCNK3 (0.81) RAB9ANPC1POLBKCNK3KCNK9
SCHEMBL2005896 0.84 KCNK3 (0.76) RAB9ANPC1POLBPKMKCNK3
SCHEMBL1818135 0.83 ALDH1A1 (0.80) RAB9ANPC1POLBPKMKMT2A
Hydrochloric Acid SCHEMBL2010680 0.83 KCNK3 (0.78) RAB9ANPC1POLBKCNK3KCNK9
SCHEMBL677770 0.82 RAB9A (1.00) RAB9ANPC1KCNK3KCNK9KMT2A
SCHEMBL11590385 0.82 KMT2A (0.83) RAB9ANPC1POLBKCNK3KCNK9

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-2318358-A2 ACYLAMINOBENZAMIDE DERIVATIVES Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010015355-A2 NOVEL ACYLAMINOBENZAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-02-11 WO disclosed