SCHEMBL8583155

SCHEMBL8583155

CC(NS(=O)(=O)c1ccc(F)cc1)c1c(Cc2cccnc2)c2ccccc2n1CCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.55
SMN1; SMN2 Q16637 1/20 0.47
PTGDR2 Q9Y5Y4 4/20 0.45
TBXA2R P21731 3/20 0.43
PTGDR Q13258 3/20 0.43
ABCB11 O95342 1/20 0.43
CYP2C9 P11712 1/20 0.43
DRD1 P21728 1/20 0.43
CCKAR P32238 1/20 0.43
CCR1 P32246 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL8585291 0.87 TBXAS1 (0.48) TBXAS1SMN1; SMN2PTGDR2CYP2C9ALDH1A1
SCHEMBL8581839 0.85 TBXAS1 (0.46) TBXAS1SMN1; SMN2PTGDR2CYP2C9ALDH1A1
SCHEMBL8583156 0.81 TBXAS1 (0.64) TBXAS1PTGDR2TBXA2R
SCHEMBL8578685 0.80 TBXAS1 (0.47) TBXAS1SMN1; SMN2PTGDR2CYP2C9POLB
SCHEMBL8584108 0.77 TBXAS1 (0.45) TBXAS1PTGDR2CYP2C9POLBALDH1A1
SCHEMBL8539577 0.75 TBXAS1 (0.61) TBXAS1PTGDR2CYP2C9ALDH1A1
SCHEMBL8542545 0.74 TBXAS1 (0.88) TBXAS1PTGDR2TBXA2R
SCHEMBL8583185 0.74 TBXAS1 (0.62) TBXAS1SMN1; SMN2PTGDR2
SCHEMBL8581374 0.73 TBXAS1 (0.48) TBXAS1PTGDR2CYP2C9ALDH1A1
SCHEMBL8541824 0.72 TBXAS1 (0.67) TBXAS1PTGDR2TBXA2R

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