SCHEMBL7982162

SCHEMBL7982162

Cn1c(-c2ccc(N)cc2Cl)nnc1C(C)(C)Oc1ccc(Cl)cc1-c1nnco1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
HSD11B2 P80365 1/20 0.42
HSD11B1 P28845 7/20 0.41
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 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
SCHEMBL7982204 0.87 NOTUM (0.40) NOTUMHSD11B1
SCHEMBL1417775 0.86 NOTUM (0.41) NOTUMHSD11B1
SCHEMBL12677424 0.81 HSD11B1 (0.47) HSD11B2HSD11B1
SCHEMBL2056587 0.81 HSD11B1 (0.51) NOTUMHSD11B2HSD11B1
SCHEMBL12677376 0.76 HSD11B1 (0.50) HSD11B2HSD11B1
SCHEMBL7968569 0.75 HSD11B1 (0.46) HSD11B2HSD11B1
SCHEMBL7981732 0.74 HSD11B1 (0.47) HSD11B2HSD11B1
SCHEMBL7980060 0.74 HSD11B1 (0.45) HSD11B2HSD11B1
SCHEMBL7989328 0.72 HSD11B1 (0.39) HSD11B2HSD11B1
SCHEMBL7989134 0.72 HSD11B1 (0.46) HSD11B2HSD11B1

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-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 EP disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO disclosed