SCHEMBL9874564

SCHEMBL9874564

O=C(O)CCn1c(Cl)c(CCNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.53
CYP19A1 P11511 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
FABP3 P05413 1/20 0.46
FABP4 P15090 1/20 0.46
FABP5 Q01469 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 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
SCHEMBL9873565 0.90 TBXA2R (0.51) TBXA2RCYP19A1ALDH1A1MAPTHDAC3
SCHEMBL9815057 0.90 HDAC3 (0.56) TBXA2RCYP19A1ALDH1A1HDAC3HDAC4
SCHEMBL10366956 0.82 HDAC3 (0.58) TBXA2RALDH1A1MAPTHDAC3HDAC4
SCHEMBL9874780 0.82 FABP3 (0.49) TBXA2RCYP19A1ALDH1A1MAPTHDAC3
SCHEMBL10373699 0.82 TBXAS1 (0.52) TBXA2RALDH1A1MAPTHDAC3HDAC4
SCHEMBL10371997 0.81 TBXA2R (0.50) TBXA2RCYP19A1ALDH1A1MAPTLMNA
SCHEMBL10494268 0.80 KCNA5 (0.65) TBXA2RALDH1A1MAPTHDAC3HDAC4
SCHEMBL9359152 0.80 PTGDR2 (0.51) TBXA2RCYP19A1ALDH1A1MAPTHDAC3
SCHEMBL9814947 0.80 TBXAS1 (0.56) TBXA2RALDH1A1HDAC3HDAC4HDAC1
SCHEMBL9358770 0.80 HDAC3 (0.52) CYP19A1ALDH1A1MAPTHDAC3HDAC4

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