SCHEMBL8583157

SCHEMBL8583157

O=C(O)C(CCNS(=O)(=O)c1ccc(F)cc1)Cn1cc(Cc2cccnc2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 12/20 0.56
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADAM17 P78536 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL8585297 0.87 HDAC1 (0.44) TBXAS1MEN1KMT2AKDM4E
SCHEMBL8581846 0.84 NR1D1 (0.51) TBXAS1KDM4E
SCHEMBL8583185 0.83 TBXAS1 (0.62) TBXAS1MEN1KMT2APTGDR2KDM4E
SCHEMBL8578692 0.78 L3MBTL1 (0.43) TBXAS1KMT2AKDM4E
SCHEMBL8584112 0.77 EPHX2 (0.41) TBXAS1MEN1KMT2AKDM4E
SCHEMBL8537426 0.77 TBXAS1 (0.76) TBXAS1
SCHEMBL8583413 0.75 TBXAS1 (0.52) TBXAS1PTGDR2KDM4E
SCHEMBL8538814 0.74 TBXAS1 (0.63) TBXAS1
SCHEMBL8583787 0.74 TBXAS1 (0.58) TBXAS1PTGDR2
SCHEMBL8538702 0.73 TBXAS1 (0.64) TBXAS1

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-5744488-A 1-CARBOXYALKYL-3-ALKYL OR PHENYL-5-ORGANOSULFONAMIDE OR -AMIDE INDOLES; ATHERSCLEROSIS; ANGINA; PREVENTING ANGIOPLASTY OCCULSION; THROMBOXANE SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-04-28 US claimed