SCHEMBL9874780

SCHEMBL9874780

O=C(O)CCn1c(Br)c(CCNS(=O)(=O)c2ccccc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49
FABP5 Q01469 1/20 0.49
HDAC3 O15379 6/20 0.48
HDAC4 P56524 6/20 0.48
HDAC1 Q13547 6/20 0.48
HDAC7 Q8WUI4 6/20 0.48
HDAC2 Q92769 6/20 0.48
HDAC10 Q969S8 6/20 0.48
HDAC11 Q96DB2 6/20 0.48
HDAC8 Q9BY41 6/20 0.48
HDAC6 Q9UBN7 6/20 0.48
HDAC9 Q9UKV0 6/20 0.48
HDAC5 Q9UQL6 6/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
TBXA2R P21731 3/20 0.47
ATM Q13315 1/20 0.44
CYP19A1 P11511 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.42

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
SCHEMBL9359152 0.93 PTGDR2 (0.51) FABP3FABP4FABP5HDAC3HDAC4
SCHEMBL9873565 0.93 TBXA2R (0.51) FABP3FABP4FABP5HDAC3HDAC4
SCHEMBL9358770 0.93 HDAC3 (0.52) FABP3FABP4FABP5HDAC3HDAC4
SCHEMBL10366956 0.87 HDAC3 (0.58) FABP3FABP4FABP5HDAC3HDAC4
SCHEMBL9358763 0.83 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9874564 0.82 TBXA2R (0.53) FABP3FABP4FABP5HDAC3HDAC4
SCHEMBL9814947 0.80 TBXAS1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9815057 0.80 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9814888 0.78 KCNA5 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9874784 0.77 HDAC3 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5015657-A Anticoagulants BAYER AKTIENGESELLSCHAFT (DE) 1991-05-14 US claimed