SCHEMBL8544727

SCHEMBL8544727

COC(=O)CCn1cc(Cc2cccnc2)c2c(CCNS(=O)(=O)c3ccc(F)cc3)cccc21

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 15/20 0.52
TBXA2R P21731 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NAMPT P43490 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
SCHEMBL8538814 0.91 TBXAS1 (0.63) TBXAS1TBXA2R
SCHEMBL8538829 0.86 TBXAS1 (0.59) TBXAS1TBXA2RSMN1; SMN2MEN1KMT2A
SCHEMBL8545341 0.86 TBXAS1 (0.50) TBXAS1
SCHEMBL8538702 0.85 TBXAS1 (0.64) TBXAS1TBXA2R
SCHEMBL8541450 0.80 TRPM5 (0.41) TBXAS1SMN1; SMN2KMT2A
SCHEMBL8544695 0.79 TRPM5 (0.40) TBXAS1NAMPT
SCHEMBL8541824 0.79 TBXAS1 (0.67) TBXAS1TBXA2R
SCHEMBL8543738 0.79 TBXAS1 (0.51) TBXAS1TBXA2RSMN1; SMN2MEN1KMT2A
SCHEMBL8538689 0.78 TBXAS1 (0.84) TBXAS1MEN1KMT2ANAMPT
SCHEMBL8541086 0.78 TBXAS1 (0.58) 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 2 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