SCHEMBL7978613

SCHEMBL7978613

C[C@H](Oc1ccc(-c2cccc(S(=O)(=O)O)c2)cc1)[C@H](O)CCc1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 6/20 0.44
ADAMTS4 O75173 2/20 0.40
CYP11B1 P15538 2/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAMPT P43490 3/20 0.38
PSMB5 P28074 1/20 0.38
CYP11B2 P19099 1/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
NMT1 P30419 1/20 0.37
EPHX1 P07099 1/20 0.37
TBXAS1 P24557 1/20 0.37

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
SCHEMBL7980003 1.00 PTAFR (0.44) PTAFRADAMTS4CYP11B1HTTSMN1; SMN2
SCHEMBL8009648 1.00 PTAFR (0.44) PTAFRADAMTS4CYP11B1HTTSMN1; SMN2
SCHEMBL7966264 0.92 PTAFR (0.44) PTAFRADAMTS4CYP11B1HTTSMN1; SMN2
SCHEMBL7979922 0.91 PTAFR (0.43) PTAFRADAMTS4CYP11B1HTTSMN1; SMN2
SCHEMBL7976664 0.91 PTAFR (0.43) PTAFRADAMTS4CYP11B1HTTSMN1; SMN2
SCHEMBL7976660 0.91 PTAFR (0.43) PTAFRADAMTS4CYP11B1HTTSMN1; SMN2
SCHEMBL7966529 0.90 PTAFR (0.44) PTAFRADAMTS4CYP11B1HTTSMN1; SMN2
SCHEMBL7966525 0.90 PTAFR (0.44) PTAFRADAMTS4CYP11B1HTTSMN1; SMN2
SCHEMBL7980418 0.89 NAMPT (0.47) HTTSMN1; SMN2NAMPTHPGD
SCHEMBL7978603 0.86 PTAFR (0.44) PTAFRHTTSMN1; SMN2POLBHPGD

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 4 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
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed