SCHEMBL8538689

SCHEMBL8538689

COC(=O)CCn1cc(Cc2cccnc2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.84
NAMPT P43490 6/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL8539267 0.95 TBXAS1 (0.79) TBXAS1NAMPTMEN1KMT2A
SCHEMBL8539221 0.91 TBXAS1 (1.00) TBXAS1MEN1KMT2A
SCHEMBL8539906 0.89 TBXAS1 (0.65) TBXAS1
SCHEMBL8539741 0.88 TBXAS1 (0.91) TBXAS1MEN1KMT2A
SCHEMBL8538702 0.87 TBXAS1 (0.64) TBXAS1
SCHEMBL8543940 0.87 TBXAS1 (0.65) TBXAS1MEN1KMT2A
SCHEMBL8539323 0.85 TBXAS1 (0.61) TBXAS1
SCHEMBL8581509 0.85 TBXAS1 (0.61) TBXAS1
SCHEMBL8637450 0.84 TBXAS1 (0.59) TBXAS1MEN1KMT2A
SCHEMBL8539463 0.82 TBXAS1 (0.83) 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 7 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
EP-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP disclosed
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 disclosed
EP-0715627-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS Pfizer Limited (GB) 1996-06-12 EP disclosed
WO-1995006046-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LIMITED (GB) 1995-03-02 WO disclosed