SCHEMBL5820429

SCHEMBL5820429

COc1ccc(-c2cc(C(=O)NC3CCCN(C(=O)OC(C)(C)C)C3)c(NC(=O)[AsH2])s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 5/20 0.53
▸ CHEK1 O14757 5/20 0.48
▸ PBK Q96KB5 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ PARP1 P09874 1/20 0.45
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ ANO1 Q5XXA6 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CDK2AP1 O14519 1/20 0.42
▸ BTK Q06187 1/20 0.42
▸ ACKR3 P25106 1/20 0.42
▸ CHRNB2 P17787 2/20 0.41
▸ CHRNA4 P43681 2/20 0.41

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
SCHEMBL5004721 0.92 CHEK1 (0.59) USP30CHEK1PARP1CDK2AP1
SCHEMBL4219757 0.92 CHEK1 (0.59) USP30CHEK1PARP1CDK2AP1
SCHEMBL4994947 0.92 CHEK1 (0.59) USP30CHEK1PARP1CDK2AP1
SCHEMBL4994970 0.89 CHEK1 (0.56) USP30CHEK1CDK2AP1
SCHEMBL5001091 0.87 CHEK1 (0.55) USP30CHEK1PARP1ALDH1A1CDK2AP1
SCHEMBL4991807 0.85 CHEK1 (0.61) USP30CHEK1PARP1CDK2AP1
SCHEMBL4212172 0.85 USP30 (0.52) USP30CHEK1PBKHDAC4HDAC6
SCHEMBL5001102 0.84 USP30 (0.43) USP30CHEK1PBKHDAC4HDAC6
SCHEMBL5001062 0.83 CHEK1 (0.58) USP30CHEK1CDK2AP1
SCHEMBL4219520 0.83 CHEK1 (0.59) CHEK1CDK2AP1

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
EP-1660474-A1 SUBSTITUTED THIOPHENES AND USES THEREOF AstraZeneca AB (SE) 2006-05-31 — — EP disclosed
WO-2005016909-A1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2005-02-24 — — WO disclosed
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