SCHEMBL21450183

SCHEMBL21450183

O=C(COc1ccc(Cl)cc1)Nc1ccc(NC(=O)COc2ccc(Cl)cc2)nc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.82
NPC1 O15118 4/20 0.82
TSHR P16473 2/20 0.82
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
ALDH1A1 P00352 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
MAPT P10636 2/20 0.61
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
TP53 P04637 2/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
NPSR1 Q6W5P4 1/20 0.58
SENP2 Q9HC62 1/20 0.57
SENP1 Q9P0U3 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
GAA P10253 1/20 0.56

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
SCHEMBL31504022 1.00 RAB9A (0.82) RAB9ANPC1TSHRKMT2AMEN1
SCHEMBL21450364 0.89 RAB9A (0.66) RAB9ANPC1TSHRKMT2AMEN1
SCHEMBL21450361 0.89 RAB9A (0.65) RAB9ANPC1TSHRKMT2AMEN1
SCHEMBL21450360 0.87 RAB9A (0.83) RAB9ANPC1TSHRKMT2AMEN1
SCHEMBL30463818 0.86 MEN1 (0.66) RAB9ANPC1TSHRKMT2AMEN1
SCHEMBL31503992 0.86 RAB9A (0.72) RAB9ANPC1TSHRKMT2AMEN1
SCHEMBL21450202 0.86 RAB9A (0.61) RAB9ANPC1TSHRKMT2AMEN1
SCHEMBL16082990 0.85 MEN1 (0.85) RAB9ANPC1TSHRKMT2AMEN1
SCHEMBL2610071 0.85 MEN1 (0.85) RAB9ANPC1TSHRKMT2AMEN1
SCHEMBL21437187 0.85 MEN1 (0.63) RAB9ANPC1TSHRKMT2AMEN1

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
WO-2019193540-A1 HETEROARYL DERIVATIVES OF FORMULA (I) AS ATF4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-10-10 WO disclosed