SCHEMBL8288669

SCHEMBL8288669

CCCC(CCC)C(=O)Nc1sc2c(c1C(N)=O)CCC(C)C2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.66
▸ MAPT P10636 7/20 0.65
▸ DUSP3 P51452 1/20 0.65
▸ PTPN5 P54829 1/20 0.65
▸ PTPN11 Q06124 1/20 0.65
▸ GCGR P47871 1/20 0.60
▸ ALDH1A1 P00352 4/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ REV1 Q9UBZ9 1/20 0.59
▸ ATM Q13315 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ KDM4E B2RXH2 3/20 0.54
▸ PDE4B Q07343 2/20 0.54
▸ ALOX15 P16050 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ PDE4D Q08499 1/20 0.54
▸ THRB P10828 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL8288821 0.91 GCGR (0.72) POLBMAPTDUSP3PTPN5PTPN11
SCHEMBL8290417 0.89 GCGR (0.64) POLBMAPTDUSP3PTPN5PTPN11
SCHEMBL5453560 0.85 POLB (0.67) POLBMAPTDUSP3PTPN5PTPN11
SCHEMBL5447380 0.85 MAPT (0.72) POLBMAPTDUSP3PTPN5PTPN11
SCHEMBL8290635 0.82 FLT3 (0.67) MAPTALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL3916246 0.81 MAPT (0.78) POLBMAPTDUSP3PTPN5PTPN11
SCHEMBL8289514 0.80 AIP (0.69) POLBMAPTDUSP3PTPN5PTPN11
SCHEMBL8289715 0.80 MAPT (0.67) POLBMAPTDUSP3PTPN5PTPN11
SCHEMBL8289505 0.79 AIP (0.68) POLBMAPTDUSP3PTPN5PTPN11
SCHEMBL8290420 0.79 POLB (0.65) POLBMAPTDUSP3PTPN5PTPN11

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
WO-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 — — WO disclosed
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