SCHEMBL8585294

SCHEMBL8585294

CS(=O)(=O)NCCc1c(Cc2cccnc2)c2ccccc2n1CCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 18/20 0.48
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL8581845 0.90 TBXAS1 (0.59) TBXAS1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL8583156 0.86 TBXAS1 (0.64) TBXAS1PTGDR2
SCHEMBL8578689 0.83 HPGD (0.44) TBXAS1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL8584111 0.81 LMNA (0.46) TBXAS1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL8585291 0.80 TBXAS1 (0.48) TBXAS1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL8539577 0.79 TBXAS1 (0.61) TBXAS1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL8581374 0.77 TBXAS1 (0.48) TBXAS1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL8581839 0.74 TBXAS1 (0.46) TBXAS1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL11036475 0.74 TBXAS1 (0.63) TBXAS1ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL8539634 0.73 TBXAS1 (0.60) 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