SCHEMBL9874573

SCHEMBL9874573

CC(C(=O)O)n1c(Cl)c(CCNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.47
KCNA5 P22460 2/20 0.47
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TBXA2R P21731 2/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL9873570 0.90 KCNA5 (0.47) CYP19A1KCNA5HDAC3HDAC4HDAC1
SCHEMBL9874784 0.82 HDAC3 (0.47) CYP19A1KCNA5HDAC3HDAC4HDAC1
SCHEMBL9874752 0.80 TAAR1 (0.47) CYP19A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9874564 0.78 TBXA2R (0.53) CYP19A1KCNA5HDAC3HDAC4HDAC1
SCHEMBL9815057 0.75 HDAC3 (0.56) CYP19A1KCNA5HDAC3HDAC4HDAC1
SCHEMBL9873565 0.73 TBXA2R (0.51) CYP19A1KCNA5HDAC3HDAC4HDAC1
SCHEMBL10373699 0.71 TBXAS1 (0.52) KCNA5HDAC3HDAC4HDAC1HDAC7
SCHEMBL9363311 0.70 KCNA5 (0.56) CYP19A1KCNA5HDAC3HDAC4HDAC1
SCHEMBL698959 0.69 KCNA5 (0.71) KCNA5HDAC3HDAC4HDAC1HDAC7
SCHEMBL9362961 0.69 HDAC1 (0.52) KCNA5HDAC3HDAC4HDAC1HDAC7

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