SCHEMBL4245782

SCHEMBL4245782

Cc1ccc(-c2ccc(C(=O)O)s2)cc1C(=O)Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ MAPT P10636 10/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ WNT3A P56704 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ MAPK1 P28482 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ DGAT1 O75907 1/20 0.48
▸ MAPKAPK2 P49137 1/20 0.48
▸ JAK2 O60674 1/20 0.47
▸ JAK1 P23458 1/20 0.47
▸ TYK2 P29597 1/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ LMNA P02545 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47

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
SCHEMBL4235980 0.88 MAPT (0.52) SMN1; SMN2MAPTL3MBTL1WNT3AMAPK1
SCHEMBL3955448 0.82 RAB9A (0.56) SMN1; SMN2MAPTMAPK1NPC1TP53
SCHEMBL3959399 0.80 PKM (0.56) SMN1; SMN2MAPTMAPK1NPC1TP53
SCHEMBL4237879 0.79 SMN1; SMN2 (0.55) SMN1; SMN2MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL2913173 0.72 PKM (0.65) SMN1; SMN2MAPTMAPK1NPC1TP53
SCHEMBL2346560 0.72 RARA (0.66) SMN1; SMN2MAPTMAPK1NPC1TP53
SCHEMBL4890453 0.72 MAPT (0.60) MAPTMAPK1NPC1RAB9AMAPKAPK2
SCHEMBL4562679 0.71 MAPT (0.59) SMN1; SMN2MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL3962780 0.71 MAPT (0.54) SMN1; SMN2MAPTL3MBTL1MAPK1NPC1
SCHEMBL2352480 0.70 PKM (0.70) SMN1; SMN2MAPTMAPK1NPC1TP53

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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