SCHEMBL7225875

SCHEMBL7225875

COc1ccc(-c2ncc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.46
HDAC3 O15379 4/20 0.46
HDAC4 P56524 4/20 0.46
HDAC7 Q8WUI4 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC10 Q969S8 4/20 0.46
HDAC11 Q96DB2 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
HDAC9 Q9UKV0 4/20 0.46
HDAC5 Q9UQL6 4/20 0.46
CSNK2A2 P19784 1/20 0.42
CSNK2A1 P68400 1/20 0.42
USP30 Q70CQ3 1/20 0.42
DYRK3 O43781 1/20 0.39
PRKCG P05129 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
MAPK1 P28482 1/20 0.39
CLK2 P49760 1/20 0.39

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
SCHEMBL7225141 0.89 USP30 (0.44) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL7233259 0.89 HDAC3 (0.49) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL7224996 0.88 USP30 (0.42) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL7232029 0.87 HDAC1 (0.49) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL7226045 0.87 USP30 (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL7223371 0.87 USP30 (0.42) HDAC1USP30GSK3BPTPN1
SCHEMBL7231198 0.87 SMN1; SMN2 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL7234180 0.87 USP30 (0.42) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL7226143 0.87 PTPN11 (0.49) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL7071274 0.86 USP30 (0.53) HDAC1HDAC6USP30PPARAPTPN1

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
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US claimed
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed