SCHEMBL4237879

SCHEMBL4237879

Cc1ccc(-c2ccc(C(=O)O)o2)cc1C(=O)Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MAPT P10636 6/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ MAPKAPK2 P49137 3/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ OPRM1 P35372 2/20 0.51
▸ OPRD1 P41143 2/20 0.51
▸ APAF1 O14727 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ HCRTR1 O43613 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49

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
SCHEMBL3956042 0.82 RAB9A (0.57) SMN1; SMN2MAPTMEN1KMT2AMAPKAPK2
SCHEMBL4245782 0.79 SMN1; SMN2 (0.54) SMN1; SMN2MAPTL3MBTL1MEN1KMT2A
SCHEMBL2346560 0.73 RARA (0.66) SMN1; SMN2MAPTMEN1KMT2AMAPK1
SCHEMBL2913173 0.73 PKM (0.65) SMN1; SMN2MAPTMEN1KMT2AMAPK1
SCHEMBL4235980 0.72 MAPT (0.52) SMN1; SMN2MAPTL3MBTL1MEN1KMT2A
SCHEMBL2352480 0.71 PKM (0.70) SMN1; SMN2MAPTMEN1KMT2AMAPK1
SCHEMBL2345369 0.71 RARB (0.66) SMN1; SMN2MAPTMAPK1NPC1RAB9A
SCHEMBL2342385 0.71 PKM (0.61) SMN1; SMN2MAPTMEN1KMT2AMAPK1
SCHEMBL12700228 0.71 MEN1 (0.64) SMN1; SMN2MAPTMEN1KMT2AMAPK1
SCHEMBL4240335 0.71 MAPT (0.55) SMN1; SMN2MAPTL3MBTL1MEN1KMT2A

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-2009034390-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2009-03-19 — — WO disclosed
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