SCHEMBL4704577

SCHEMBL4704577

COc1ccc(-c2cc(OC(=O)NCCN3CCCCC3)c(NC(N)=O)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 6/20 0.55
▸ POLB P06746 1/20 0.47
▸ ACHE P22303 2/20 0.46
▸ CYP2D6 P10635 1/20 0.45
▸ IKBKB O14920 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALOX15 P16050 1/20 0.42

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
SCHEMBL4706296 0.91 CHEK1 (0.49) CHEK1IKBKBALDH1A1
SCHEMBL4217714 0.85 CHEK1 (0.65) CHEK1POLBACHEIKBKB
SCHEMBL4702522 0.80 CHEK1 (0.61) CHEK1
SCHEMBL4705870 0.79 CHEK1 (0.46) CHEK1IKBKB
SCHEMBL4703834 0.78 CHEK1 (0.47) CHEK1IKBKB
SCHEMBL4704847 0.78 CHEK1 (0.56) CHEK1IKBKB
SCHEMBL4704773 0.78 CHEK1 (0.53) CHEK1IKBKBMAPT
SCHEMBL4704552 0.77 CHEK1 (0.60) CHEK1IKBKB
SCHEMBL4706388 0.77 CHEK1 (0.49) CHEK1IKBKB
SCHEMBL4216101 0.76 CHEK1 (0.59) CHEK1IKBKB

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
EP-1660474-B1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2008-10-29 — — EP claimed
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