SCHEMBL3959437

SCHEMBL3959437

Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1-c1ccc(C(=O)O)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.58
▸ RAB9A P51151 3/20 0.57
▸ PKM P14618 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ ATM Q13315 1/20 0.55
▸ RARA P10276 1/20 0.54
▸ RARG P13631 1/20 0.54
▸ RAF1 P04049 5/20 0.54
▸ BRAF P15056 5/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ MAPK14 Q16539 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53

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
SCHEMBL6185626 0.89 MAPK1 (0.65) MAPTRAB9APKMMAPK1NPC1
SCHEMBL13907630 0.88 MAPT (0.57) MAPTRAB9APKMMAPK1NPC1
SCHEMBL3952897 0.86 RAF1 (0.57) MAPTRAB9APKMMAPK1NPC1
SCHEMBL3955158 0.86 MAPT (0.59) MAPTRAB9APKMMAPK1NPC1
SCHEMBL5934793 0.86 MAPT (0.63) MAPTRAB9APKMMAPK1NPC1
SCHEMBL2346560 0.85 RARA (0.66) MAPTRAB9APKMMAPK1NPC1
SCHEMBL3963413 0.85 MAPT (0.52) MAPTRAB9APKMMAPK1NPC1
SCHEMBL3959184 0.85 RAF1 (0.61) MAPTRAB9APKMMAPK1NPC1
SCHEMBL4055744 0.84 MAPK14 (0.62) MAPTRAB9APKMMAPK1NPC1
SCHEMBL2913173 0.83 PKM (0.65) MAPTRAB9APKMMAPK1NPC1

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