SCHEMBL7966525

SCHEMBL7966525

CNS(=O)(=O)c1cccc(-c2ccc(OC(C)C(O)CCc3cccnc3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 4/20 0.44
CYP17A1 P05093 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADAMTS4 O75173 2/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 1/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NMT1 P30419 1/20 0.39
NAMPT P43490 3/20 0.39
POLB P06746 1/20 0.38
LARS1 Q9P2J5 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
SCHEMBL7966529 1.00 PTAFR (0.44) PTAFRCYP17A1CYP3A4ADAMTS4CYP11B1
SCHEMBL7966264 0.90 PTAFR (0.44) PTAFRADAMTS4CYP11B1CYP11B2HTT
SCHEMBL7978613 0.90 PTAFR (0.44) PTAFRADAMTS4CYP11B1CYP11B2HTT
SCHEMBL8009648 0.90 PTAFR (0.44) PTAFRADAMTS4CYP11B1CYP11B2HTT
SCHEMBL7980003 0.90 PTAFR (0.44) PTAFRADAMTS4CYP11B1CYP11B2HTT
SCHEMBL7976664 0.89 PTAFR (0.43) PTAFRADAMTS4CYP11B1CYP11B2HTT
SCHEMBL7976660 0.89 PTAFR (0.43) PTAFRADAMTS4CYP11B1CYP11B2HTT
SCHEMBL7979922 0.89 PTAFR (0.43) PTAFRADAMTS4CYP11B1CYP11B2HTT
SCHEMBL7980418 0.84 NAMPT (0.47) MAPTHTTSMN1; SMN2NAMPT
SCHEMBL7966517 0.84 CYP1A2 (0.48) PTAFRCYP3A4CYP11B1CYP11B2MAPT

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
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US claimed
EP-0971892-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-01-19 EP claimed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO claimed