SCHEMBL9814947

SCHEMBL9814947

Cc1c(CCNS(=O)(=O)c2ccc(F)cc2)c2ccccc2n1CCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.56
HDAC3 O15379 5/20 0.56
HDAC4 P56524 5/20 0.56
HDAC1 Q13547 5/20 0.56
HDAC7 Q8WUI4 5/20 0.56
HDAC2 Q92769 5/20 0.56
HDAC10 Q969S8 5/20 0.56
HDAC11 Q96DB2 5/20 0.56
HDAC8 Q9BY41 5/20 0.56
HDAC6 Q9UBN7 5/20 0.56
HDAC9 Q9UKV0 5/20 0.56
HDAC5 Q9UQL6 5/20 0.56
PTGDR2 Q9Y5Y4 3/20 0.56
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

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
SCHEMBL10366956 0.93 HDAC3 (0.58) TBXAS1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10373940 0.92 TBXAS1 (0.63) TBXAS1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9814980 0.90 TBXAS1 (0.63) TBXAS1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9815057 0.90 HDAC3 (0.56) TBXAS1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9359152 0.88 PTGDR2 (0.51) TBXAS1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9358770 0.82 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10373699 0.82 TBXAS1 (0.52) TBXAS1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9874780 0.80 FABP3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9874564 0.80 TBXA2R (0.53) TBXAS1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9362957 0.78 KCNA5 (0.54) TBXAS1HDAC3HDAC4HDAC1HDAC7

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-0242767-B1 N-DIHYDROINDOLYL ETHYL-SULFON AMIDES BAYER AG (DE) 1991-09-11 EP disclosed
US-4806551-A PLATELET AGGREGATION-INHIBITOR AND THROMBOXAN A2-ANTAGONIST BAYER AKTIENGESELLSCHAFT (DE) 1989-02-21 US disclosed
EP-0242767-A2 N-dihydroindolyl ethyl-sulfon amides BAYER AG (DE) 1987-10-28 EP disclosed