SCHEMBL11238457

SCHEMBL11238457

O=C(Nc1ccccc1)c1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 1.00
NPC1 O15118 11/20 1.00
SMN1; SMN2 Q16637 7/20 1.00
PKM P14618 3/20 1.00
MAPT P10636 2/20 0.84
NFKB1 P19838 3/20 0.83
NFKB2 Q00653 3/20 0.83
RELA Q04206 3/20 0.83
MAOB P27338 1/20 0.83
KMT2A Q03164 6/20 0.78
CASP3 P42574 6/20 0.78
SENP7 Q9BQF6 6/20 0.78
SENP8 Q96LD8 2/20 0.78
SENP6 Q9GZR1 2/20 0.78
ALDH1A1 P00352 1/20 0.77
PTGS2 P35354 1/20 0.75
MEN1 O00255 5/20 0.74
TP53 P04637 1/20 0.74
NPSR1 Q6W5P4 1/20 0.74
HPGD P15428 1/20 0.72

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
SCHEMBL4727186 0.89 RAB9A (0.81) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL8768779 0.88 RAB9A (0.82) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL108116 0.87 NPC1 (1.00) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL5333874 0.85 NPC1 (0.77) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL6848423 0.85 RAB9A (0.84) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL5843884 0.85 RAB9A (0.74) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL2971586 0.85 RAB9A (0.78) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL6295679 0.84 NPC1 (1.00) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL14467048 0.84 MAPT (0.74) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL28576230 0.84 NPC1 (1.00) RAB9ANPC1SMN1; SMN2PKMMAPT

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
US-4342875-A STABILIZERS FOR OLEFIN POLYMERS CINCINNATI-MILACRON, INC. (US) 1982-08-03 US disclosed