SCHEMBL13973379

SCHEMBL13973379

Cc1ccc2nc(-c3ccc(NC(=O)C4CCC(N)CC4)cc3)sc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK2 O95069 1/20 0.76
▸ KCNK4 Q9NYG8 1/20 0.76
▸ FAAH O00519 1/20 0.62
▸ TP53 P04637 1/20 0.62
▸ KDM4E B2RXH2 5/20 0.61
▸ NPC1 O15118 5/20 0.61
▸ POLB P06746 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ RAB9A P51151 4/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ NFKB1 P19838 1/20 0.61
▸ NFKB2 Q00653 1/20 0.61
▸ RELA Q04206 1/20 0.61
▸ MEN1 O00255 3/20 0.60
▸ MAPT P10636 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ HPGD P15428 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60

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
SCHEMBL27451203 0.90 KCNK2 (0.77) KCNK2KCNK4FAAHTP53KDM4E
SCHEMBL10114761 0.83 KCNK2 (0.66) KCNK2KCNK4FAAHTP53KDM4E
SCHEMBL10133403 0.83 KCNK2 (0.66) KCNK2KCNK4FAAHTP53KDM4E
SCHEMBL13204323 0.83 KCNK2 (0.66) KCNK2KCNK4FAAHTP53KDM4E
SCHEMBL10114367 0.83 KCNK2 (0.66) KCNK2KCNK4FAAHTP53KDM4E
SCHEMBL13740811 0.81 KCNK2 (0.67) KCNK2KCNK4FAAHTP53KDM4E
SCHEMBL3932997 0.81 MAPT (0.78) KCNK2KCNK4TP53KDM4ENPC1
SCHEMBL10599193 0.80 NPC1 (0.80) KCNK2KCNK4TP53KDM4ENPC1
SCHEMBL11935394 0.80 MAPT (0.58) KCNK2KCNK4TP53KDM4ENPC1
SCHEMBL13439107 0.80 MAPT (0.58) KCNK2KCNK4TP53KDM4ENPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 — — EP disclosed
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