SCHEMBL7979922

SCHEMBL7979922

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 4/20 0.43
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
IKBKB O14920 1/20 0.40
ADAMTS4 O75173 2/20 0.39
CYP11B1 P15538 2/20 0.39
NAMPT P43490 4/20 0.38
LRRK2 Q5S007 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PSMB5 P28074 1/20 0.38
CYP11B2 P19099 1/20 0.37
TTK P33981 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
SCHEMBL7976664 1.00 PTAFR (0.43) PTAFRCA9CA12CA1CA2
SCHEMBL7976660 1.00 PTAFR (0.43) PTAFRCA9CA12CA1CA2
SCHEMBL7978613 0.91 PTAFR (0.44) PTAFRADAMTS4CYP11B1NAMPTHTT
SCHEMBL7966264 0.91 PTAFR (0.44) PTAFRADAMTS4CYP11B1NAMPTHTT
SCHEMBL8009648 0.91 PTAFR (0.44) PTAFRADAMTS4CYP11B1NAMPTHTT
SCHEMBL7980003 0.91 PTAFR (0.44) PTAFRADAMTS4CYP11B1NAMPTHTT
SCHEMBL7966628 0.91 CA2 (0.47) PTAFRCA9CA12CA1CA2
SCHEMBL7966630 0.91 CA2 (0.47) PTAFRCA9CA12CA1CA2
SCHEMBL7966329 0.91 PTAFR (0.42) PTAFRCA9CA12CA1CA2
SCHEMBL7966332 0.91 PTAFR (0.42) PTAFRCA9CA12CA1CA2

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