SCHEMBL8583185

SCHEMBL8583185

Cc1c(Cc2cccnc2)c2ccccc2n1CC(CCNS(=O)(=O)c1ccc(F)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 14/20 0.62
PTGDR2 Q9Y5Y4 3/20 0.51
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL8583413 0.92 TBXAS1 (0.52) TBXAS1PTGDR2KDM4E
SCHEMBL8583157 0.83 TBXAS1 (0.56) TBXAS1PTGDR2MEN1KMT2AKDM4E
SCHEMBL8580490 0.82 TBXAS1 (0.61) TBXAS1PTGDR2
SCHEMBL8583156 0.77 TBXAS1 (0.64) TBXAS1PTGDR2
SCHEMBL8542545 0.77 TBXAS1 (0.88) TBXAS1PTGDR2
SCHEMBL8545966 0.74 TBXAS1 (0.78) TBXAS1PTGDR2
SCHEMBL8583155 0.74 TBXAS1 (0.55) TBXAS1PTGDR2SMN1; SMN2
SCHEMBL8541824 0.73 TBXAS1 (0.67) TBXAS1PTGDR2
Water SCHEMBL11291624 0.71 PTGDR2 (0.73) TBXAS1PTGDR2KDM4E
SCHEMBL8538829 0.71 TBXAS1 (0.59) TBXAS1PTGDR2MEN1KMT2ASMN1; SMN2

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