SCHEMBL3955448

SCHEMBL3955448

Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1-c1ccc(C(=O)O)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ PKM P14618 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ MAPT P10636 8/20 0.54
▸ ATM Q13315 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ LMNA P02545 2/20 0.52
▸ RAF1 P04049 4/20 0.52
▸ BRAF P15056 4/20 0.52
▸ RARA P10276 1/20 0.51
▸ RARG P13631 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51

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
SCHEMBL3959399 0.94 PKM (0.56) RAB9ANPC1PKMMAPK1TP53
SCHEMBL3962780 0.88 MAPT (0.54) RAB9ANPC1PKMMAPK1TP53
SCHEMBL2346560 0.83 RARA (0.66) RAB9ANPC1PKMMAPK1TP53
SCHEMBL4245782 0.82 SMN1; SMN2 (0.54) RAB9ANPC1PKMMAPK1TP53
SCHEMBL3958957 0.82 MAPT (0.47) RAB9ANPC1PKMMAPK1TP53
SCHEMBL1140199 0.81 RAF1 (0.67) RAB9ANPC1PKMMAPK1TP53
SCHEMBL3956042 0.81 RAB9A (0.57) RAB9ANPC1PKMMAPK1TP53
SCHEMBL2352480 0.81 PKM (0.70) RAB9ANPC1PKMMAPK1TP53
SCHEMBL2913173 0.81 PKM (0.65) RAB9ANPC1PKMMAPK1TP53
SCHEMBL1140320 0.80 MAPK1 (0.61) RAB9ANPC1PKMMAPK1TP53

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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