SCHEMBL4235980

SCHEMBL4235980

CCOC(=O)c1ccc(-c2ccc(C)c(C(=O)Nc3ccc(N4CCOCC4)cc3)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MTOR P42345 3/20 0.47
▸ WNT3A P56704 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ USP2 O75604 2/20 0.45
▸ MITF O75030 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NTSR1 P30989 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ HCRTR1 O43613 1/20 0.45
▸ BTK Q06187 1/20 0.45
▸ POLB P06746 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL4245782 0.88 SMN1; SMN2 (0.54) MAPTL3MBTL1SMN1; SMN2WNT3AALDH1A1
SCHEMBL3962780 0.84 MAPT (0.54) MAPTL3MBTL1SMN1; SMN2ALDH1A1TP53
SCHEMBL2344153 0.75 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1TP53MAPK1
SCHEMBL4601644 0.73 MAPT (0.54) MAPTL3MBTL1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL2352743 0.73 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1TP53MAPK1
SCHEMBL4237879 0.72 SMN1; SMN2 (0.55) MAPTL3MBTL1SMN1; SMN2ALDH1A1TP53
SCHEMBL3121764 0.71 ALDH1A1 (0.57) MAPTL3MBTL1SMN1; SMN2ALDH1A1TP53
SCHEMBL2351047 0.71 MAPT (0.65) MAPTSMN1; SMN2ALDH1A1TP53MAPK1
SCHEMBL3955448 0.71 RAB9A (0.56) MAPTSMN1; SMN2ALDH1A1TP53MAPK1
SCHEMBL4240335 0.70 MAPT (0.55) MAPTL3MBTL1SMN1; SMN2ALDH1A1TP53

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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