SCHEMBL7966624

SCHEMBL7966624

Cc1cc(-c2ccc(O[C@@H](C)[C@H](O)CCc3cccnc3)cc2)ccc1S(N)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 6/20 0.39
ADAMTS4 O75173 2/20 0.37
NAMPT P43490 2/20 0.37
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.36
PDIA6 Q15084 1/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.35
ADAM17 P78536 1/20 0.34

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
SCHEMBL7966622 1.00 PTAFR (0.39) PTAFRADAMTS4NAMPTPOLBHPGD
SCHEMBL7979812 0.93 HTT (0.39) PTAFRADAMTS4NAMPTPOLBHPGD
SCHEMBL7979810 0.93 HTT (0.39) PTAFRADAMTS4NAMPTPOLBHPGD
SCHEMBL7976666 0.90 CYP3A4 (0.39) PTAFRADAMTS4NAMPTPOLBHPGD
SCHEMBL7976671 0.90 CYP3A4 (0.39) PTAFRADAMTS4NAMPTPOLBHPGD
SCHEMBL7979929 0.88 CYP3A4 (0.39) PTAFRADAMTS4NAMPTPOLBHPGD
SCHEMBL7979925 0.88 CYP3A4 (0.39) PTAFRADAMTS4NAMPTPOLBHPGD
SCHEMBL7983302 0.88 CYP3A4 (0.39) PTAFRADAMTS4NAMPTPOLBHPGD
SCHEMBL7966628 0.86 CA2 (0.47) PTAFRADAMTS4NAMPTPOLBHPGD
SCHEMBL7966630 0.86 CA2 (0.47) PTAFRADAMTS4NAMPTPOLBHPGD

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