SCHEMBL3962780

SCHEMBL3962780

CCOC(=O)c1ccc(-c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)ccc2C)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.54
▸ ALDH1A1 P00352 7/20 0.54
▸ SMN1; SMN2 Q16637 7/20 0.54
▸ MAPK1 P28482 5/20 0.54
▸ TP53 P04637 3/20 0.54
▸ TSHR P16473 2/20 0.54
▸ USP2 O75604 2/20 0.54
▸ MITF O75030 1/20 0.54
▸ NTSR1 P30989 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ RAB9A P51151 4/20 0.52
▸ PKM P14618 2/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ LMNA P02545 4/20 0.49
▸ GAA P10253 2/20 0.49
▸ STAT3 P40763 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ HDAC8 Q9BY41 1/20 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
SCHEMBL3955448 0.88 RAB9A (0.56) MAPTALDH1A1SMN1; SMN2MAPK1TP53
SCHEMBL2344153 0.84 MAPT (0.63) MAPTALDH1A1SMN1; SMN2MAPK1TP53
SCHEMBL4235980 0.84 MAPT (0.52) MAPTALDH1A1SMN1; SMN2MAPK1TP53
SCHEMBL4240335 0.83 MAPT (0.55) MAPTALDH1A1SMN1; SMN2MAPK1TP53
SCHEMBL3959399 0.82 PKM (0.56) MAPTALDH1A1SMN1; SMN2MAPK1TP53
SCHEMBL13907630 0.81 MAPT (0.57) MAPTALDH1A1SMN1; SMN2MAPK1TP53
SCHEMBL3958957 0.80 MAPT (0.47) MAPTALDH1A1SMN1; SMN2MAPK1TP53
SCHEMBL2346099 0.79 MAPK14 (0.60) MAPTALDH1A1SMN1; SMN2MAPK1TP53
SCHEMBL2352743 0.79 MAPT (0.58) MAPTALDH1A1SMN1; SMN2MAPK1TP53
SCHEMBL2352480 0.77 PKM (0.70) MAPTALDH1A1SMN1; SMN2MAPK1TP53

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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