SCHEMBL11458074

SCHEMBL11458074

O=C(c1cc2ccsc2s1)c1cc2ccsc2s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.70
HDAC4 P56524 2/20 0.70
HDAC1 Q13547 2/20 0.70
HDAC7 Q8WUI4 2/20 0.70
HDAC2 Q92769 2/20 0.70
HDAC10 Q969S8 2/20 0.70
HDAC11 Q96DB2 2/20 0.70
HDAC8 Q9BY41 2/20 0.70
HDAC6 Q9UBN7 2/20 0.70
HDAC9 Q9UKV0 2/20 0.70
HDAC5 Q9UQL6 2/20 0.70
ALOX5 P09917 1/20 0.44
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
GPR35 Q9HC97 1/20 0.37
DYRK1A Q13627 5/20 0.36
CLK1 P49759 4/20 0.36
DYRK1B Q9Y463 4/20 0.36
DAO P14920 1/20 0.35
HTR1A P08908 1/20 0.34

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
SCHEMBL1761579 0.86 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2272818 0.80 HDAC3 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5967024 0.80 HDAC1 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4114361 0.80 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9459350 0.78 HDAC1 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5967028 0.77 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5967023 0.77 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5967501 0.77 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11458984 0.76 PTGS2 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2274004 0.76 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2

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-4183944-A ANALGESICS, ANTIPYRETICS, ANTICOAGULANTS, ANTIINFLAMMATORY AGENTS RHONE POULENC INDUSTRIES (FR) 1980-01-15 US disclosed
US-4124596-A ANALGESICS, ANTIPYRETICS, ANTICLOTTING AGENTS, ANTIINFLAMMATORY AGENTS RHONE-POULENC INDUSTRIES (FR) 1978-11-07 US disclosed