SCHEMBL8307474

SCHEMBL8307474

CCOC(=O)CCc1cc(CCNS(=O)(=O)N(C)C)cc(Cc2ccncc2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 12/20 0.58
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NAMPT P43490 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8304728 0.88 TBXAS1 (0.77) TBXAS1TSHR
SCHEMBL8309257 0.86 TBXAS1 (0.77) TBXAS1
SCHEMBL8306769 0.84 TBXAS1 (0.63) TBXAS1MEN1KMT2ATSHRPKM
SCHEMBL8307025 0.82 TBXAS1 (0.75) TBXAS1MEN1KMT2AHTTALDH1A1
SCHEMBL8309319 0.82 TBXAS1 (0.59) TBXAS1MEN1KMT2AMAPK1HTT
SCHEMBL8310260 0.80 TBXAS1 (0.50) TBXAS1CYP4F2CYP4A11NAMPT
SCHEMBL8310097 0.79 TBXAS1 (0.79) TBXAS1TSHR
SCHEMBL8308006 0.79 CYP4F2 (0.47) TBXAS1MEN1KMT2ATSHRCYP4F2
SCHEMBL8309155 0.77 CYP17A1 (0.47) TBXAS1KMT2ACYP4F2CYP4A11NAMPT
SCHEMBL8310249 0.76 TBXAS1 (0.62) TBXAS1TSHR

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-0579618-B1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES PFIZER LTD (GB) 1999-10-13 EP disclosed
US-5457118-A Pyridine derived agents for cardiovascular diseases PFIZER INC. (US) 1995-10-10 US disclosed