SCHEMBL8538700

SCHEMBL8538700

COC(=O)CCc1[nH]c2ccc(CCNS(=O)(=O)c3ccc(F)cc3)cc2c1Cc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 15/20 0.55
TBXA2R P21731 4/20 0.46
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8543882 0.91 TBXAS1 (0.67) TBXAS1TBXA2RALDH1A1
SCHEMBL8541174 0.86 TBXAS1 (0.54) TBXAS1MEN1KMT2A
SCHEMBL8543738 0.85 TBXAS1 (0.51) TBXAS1TBXA2RSMN1; SMN2MEN1KMT2A
SCHEMBL8545966 0.80 TBXAS1 (0.78) TBXAS1TBXA2RALDH1A1
SCHEMBL8543137 0.79 TLR7 (0.42) TBXAS1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8538702 0.78 TBXAS1 (0.64) TBXAS1TBXA2R
SCHEMBL8542938 0.78 TBXAS1 (0.66) TBXAS1
SCHEMBL8543710 0.76 TBXAS1 (0.62) TBXAS1TBXA2RMEN1KMT2A
SCHEMBL8543376 0.76 AURKA (0.46) ALDH1A1MEN1KMT2A
SCHEMBL8544758 0.75 ALDH1A1 (0.48) ALDH1A1MEN1KMT2A

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-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP claimed
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
WO-1995006046-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LIMITED (GB) 1995-03-02 WO claimed