SCHEMBL9814980

SCHEMBL9814980

Cc1c(CCNS(=O)(=O)c2ccc(F)cc2)c2cc(F)ccc2n1CCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.63
PTGDR2 Q9Y5Y4 6/20 0.50
LMNA P02545 1/20 0.50
TBXA2R P21731 1/20 0.48
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 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
SCHEMBL9814947 0.90 TBXAS1 (0.56) TBXAS1PTGDR2LMNATBXA2RHTT
SCHEMBL10366956 0.82 HDAC3 (0.58) TBXAS1PTGDR2TBXA2RHDAC3HDAC4
SCHEMBL10373940 0.82 TBXAS1 (0.63) TBXAS1PTGDR2LMNATBXA2RHDAC3
SCHEMBL8538416 0.81 TBXAS1 (0.88) TBXAS1PTGDR2TBXA2R
SCHEMBL8542545 0.81 TBXAS1 (0.88) TBXAS1PTGDR2TBXA2R
SCHEMBL9815057 0.80 HDAC3 (0.56) TBXAS1PTGDR2LMNATBXA2RHTT
SCHEMBL9359152 0.78 PTGDR2 (0.51) TBXAS1PTGDR2LMNATBXA2RHTT
SCHEMBL1786169 0.76 PTGDR2 (0.74) TBXAS1PTGDR2
SCHEMBL8537438 0.76 TBXAS1 (0.70) TBXAS1PTGDR2TBXA2R
SCHEMBL1783099 0.74 PTGDR2 (0.71) TBXAS1PTGDR2

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