SCHEMBL5805396

SCHEMBL5805396

Cc1ccc(CNC(=O)NC(Cc2ccccc2)C(=O)Nc2ccc3sc(C(=O)NO)cc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.55
ANPEP P15144 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM1A O60341 1/20 0.48
KLKB1 P03952 1/20 0.47
TACR2 P21452 1/20 0.47
CLK1 P49759 1/20 0.46

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
SCHEMBL8254245 1.00 HDAC1 (0.55) HDAC1ANPEPATML3MBTL1KDM1A
SCHEMBL8255875 0.95 HDAC1 (0.61) HDAC1ANPEPKDM1AKLKB1TACR2
SCHEMBL5808394 0.95 HDAC1 (0.61) HDAC1ANPEPKDM1AKLKB1TACR2
SCHEMBL5805067 0.90 HDAC1 (0.55) HDAC1ANPEPKDM1AKLKB1TACR2
SCHEMBL8257525 0.90 HDAC1 (0.55) HDAC1ANPEPKDM1AKLKB1TACR2
SCHEMBL5823705 0.86 HDAC1 (0.62) HDAC1ANPEPCLK1
SCHEMBL8261102 0.86 HDAC1 (0.62) HDAC1ANPEPCLK1
SCHEMBL8258276 0.86 HDAC1 (0.59) HDAC1
SCHEMBL3504399 0.85 HDAC1 (0.52) HDAC1ANPEPKDM1A
SCHEMBL8259259 0.85 HDAC1 (0.52) HDAC1ANPEPKDM1A

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-2006101454-A1 BENZOTHIOPHENE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2006-09-28 WO claimed