SCHEMBL13907630

SCHEMBL13907630

CCOC(=O)c1ccc(-c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)ccc2C)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.57
▸ MAPK1 P28482 5/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ TP53 P04637 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ TSHR P16473 2/20 0.57
▸ USP2 O75604 2/20 0.57
▸ MITF O75030 1/20 0.57
▸ NTSR1 P30989 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ LMNA P02545 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ MC4R P32245 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ CLK1 P49759 1/20 0.53
▸ GSK3A P49840 1/20 0.53
▸ GSK3B P49841 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ RAF1 P04049 7/20 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
SCHEMBL3959437 0.88 MAPT (0.58) MAPTMAPK1SMN1; SMN2TP53ALDH1A1
SCHEMBL2344153 0.87 MAPT (0.63) MAPTMAPK1SMN1; SMN2TP53ALDH1A1
SCHEMBL6185626 0.85 MAPK1 (0.65) MAPTMAPK1SMN1; SMN2TP53ALDH1A1
SCHEMBL3959184 0.82 RAF1 (0.61) MAPTMAPK1SMN1; SMN2TP53ALDH1A1
SCHEMBL3955158 0.82 MAPT (0.59) MAPTMAPK1TP53ALDH1A1TDP1
SCHEMBL3952897 0.82 RAF1 (0.57) MAPTMAPK1TP53RAF1BRAF
SCHEMBL4240335 0.82 MAPT (0.55) MAPTMAPK1SMN1; SMN2TP53ALDH1A1
SCHEMBL5934793 0.82 MAPT (0.63) MAPTMAPK1SMN1; SMN2TP53ALDH1A1
SCHEMBL2346099 0.81 MAPK14 (0.60) MAPTMAPK1SMN1; SMN2TP53ALDH1A1
SCHEMBL2352743 0.81 MAPT (0.58) MAPTMAPK1SMN1; SMN2TP53ALDH1A1

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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