SCHEMBL9359152

SCHEMBL9359152

O=C(O)CCn1c(Br)c(CCNS(=O)(=O)c2ccc(F)cc2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.51
TBXA2R P21731 2/20 0.51
PTGDR Q13258 2/20 0.51
ABCB11 O95342 1/20 0.51
CYP2C9 P11712 1/20 0.51
DRD1 P21728 1/20 0.51
CCKAR P32238 1/20 0.51
LMNA P02545 1/20 0.50
TAAR1 Q96RJ0 1/20 0.48
HDAC3 O15379 6/20 0.47
HDAC4 P56524 6/20 0.47
HDAC1 Q13547 6/20 0.47
HDAC7 Q8WUI4 6/20 0.47
HDAC2 Q92769 6/20 0.47
HDAC10 Q969S8 6/20 0.47
HDAC11 Q96DB2 6/20 0.47
HDAC8 Q9BY41 6/20 0.47
HDAC6 Q9UBN7 6/20 0.47
HDAC9 Q9UKV0 6/20 0.47
HDAC5 Q9UQL6 6/20 0.47

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
SCHEMBL9874780 0.93 FABP3 (0.49) PTGDR2TBXA2RPTGDRHDAC3HDAC4
SCHEMBL9873565 0.90 TBXA2R (0.51) TBXA2RLMNAHDAC3HDAC4HDAC1
SCHEMBL9358770 0.90 HDAC3 (0.52) PTGDR2CYP2C9HDAC3HDAC4HDAC1
SCHEMBL9814947 0.88 TBXAS1 (0.56) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL9362957 0.81 KCNA5 (0.54) PTGDR2LMNATAAR1HDAC3HDAC4
SCHEMBL9358763 0.80 HDAC3 (0.50) CYP2C9HDAC3HDAC4HDAC1HDAC7
SCHEMBL10366956 0.80 HDAC3 (0.58) PTGDR2TBXA2RHDAC3HDAC4HDAC1
SCHEMBL10373940 0.80 TBXAS1 (0.63) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL9874564 0.80 TBXA2R (0.53) PTGDR2TBXA2RLMNAHDAC3HDAC4
SCHEMBL9874752 0.79 TAAR1 (0.47) PTGDR2LMNATAAR1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5015657-A Anticoagulants BAYER AKTIENGESELLSCHAFT (DE) 1991-05-14 US claimed
EP-0371342-B1 2-Halogen-substituted N-indolyl sulfonic-acid amides, process for their preparation and their pharmaceutical use BAYER AG (DE) 1994-12-14 EP disclosed
US-5015657-A Anticoagulants BAYER AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed
EP-0371342-A1 2-Halogen-substituted N-indolyl sulfonic-acid amides, process for their preparation and their pharmaceutical use BAYER AG (DE) 1990-06-06 EP disclosed