SCHEMBL13797218

SCHEMBL13797218

Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccc(CNc2nc(NCCNC(=O)OC(C)(C)C)c3ccccc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 17/20 0.53
▸ TCF7L2 Q9NQB0 17/20 0.53
▸ PPARD Q03181 1/20 0.51
▸ PPARA Q07869 1/20 0.51
▸ MAPT P10636 1/20 0.46
▸ XDH P47989 1/20 0.45

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
SCHEMBL14606715 0.86 CTNNB1 (0.64) CTNNB1TCF7L2MAPTXDH
SCHEMBL13797205 0.83 CTNNB1 (0.68) CTNNB1TCF7L2
SCHEMBL13797208 0.80 CTNNB1 (0.73) CTNNB1TCF7L2
SCHEMBL13797219 0.74 MAPT (0.51) CTNNB1TCF7L2MAPT
SCHEMBL13797216 0.73 CTNNB1 (0.64) CTNNB1TCF7L2
SCHEMBL8889354 0.71 SIRT5 (0.60) CTNNB1TCF7L2MAPT
SCHEMBL13797649 0.71 MAPT (0.56) CTNNB1TCF7L2MAPTXDH
SCHEMBL30621767 0.71 BRD4 (0.56) MAPT
SCHEMBL8899455 0.71 BRD4 (0.56) MAPT
SCHEMBL13793556 0.71 BRD4 (0.49) CTNNB1TCF7L2MAPT

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-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
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