SCHEMBL4552001

SCHEMBL4552001

O=C(O)c1cc2ccc(COCc3ccccc3)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.55
HDAC1 Q13547 13/20 0.53
TBXAS1 P24557 1/20 0.50
GPR35 Q9HC97 1/20 0.44
TSHR P16473 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
NR4A2 P43354 1/20 0.40

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
SCHEMBL1884035 0.88 HDAC1 (0.70) HDAC1HDAC6
SCHEMBL17842764 0.82 TBXAS1 (0.52) BCL2L1HDAC1TBXAS1GPR35HDAC6
SCHEMBL17347192 0.82 NR4A2 (0.54) BCL2L1NR4A2
SCHEMBL3570753 0.81 HDAC1 (0.57) BCL2L1HDAC1TBXAS1
SCHEMBL26110644 0.79 TBXAS1 (0.50) BCL2L1HDAC1TBXAS1GPR35
SCHEMBL31207829 0.79 TBXAS1 (0.57) BCL2L1HDAC1TBXAS1GPR35HDAC6
SCHEMBL191611 0.79 TBXAS1 (0.57) BCL2L1HDAC1TBXAS1GPR35HDAC6
SCHEMBL153980 0.77 MEN1 (0.57) BCL2L1HDAC1TBXAS1GPR35HDAC6
SCHEMBL26107968 0.77 TBXAS1 (0.56) BCL2L1HDAC1TBXAS1GPR35HDAC6
SCHEMBL4255241 0.76 HDAC1 (0.82) BCL2L1HDAC1TBXAS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677731-A4 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA INC (US) 2009-05-06 EP claimed
EP-1677731-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES Aton Pharma, Inc. (US) 2006-07-12 EP claimed
WO-2005034880-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-04-21 WO claimed