SCHEMBL4775183

SCHEMBL4775183

COCCOc1cc(CC=O)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
NPC1 O15118 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 4/20 0.51
PPARA Q07869 3/20 0.51
PPARG P37231 1/20 0.51
PPARD Q03181 1/20 0.51
FDPS P14324 1/20 0.49
TUBB1 Q9H4B7 1/20 0.48
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA2 P00918 1/20 0.46
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL5050752 0.93 MEN1 (0.52) MEN1NPC1KMT2AL3MBTL1ALDH1A1
SCHEMBL16973543 0.92 PPARA (0.50) MEN1NPC1KMT2AL3MBTL1ALDH1A1
SCHEMBL881495 0.85 MEN1 (0.45) MEN1NPC1KMT2AL3MBTL1ALDH1A1
SCHEMBL30644304 0.84 ALDH1A1 (0.69) MEN1KMT2AL3MBTL1ALDH1A1PPARA
SCHEMBL557409 0.84 ALDH1A1 (0.69) MEN1KMT2AL3MBTL1ALDH1A1PPARA
SCHEMBL3343652 0.83 ALDH1A1 (0.67) MEN1KMT2AL3MBTL1ALDH1A1PPARA
SCHEMBL1766003 0.79 PPARA (0.54) MEN1NPC1KMT2AL3MBTL1ALDH1A1
SCHEMBL8788295 0.79 FDPS (0.51) MEN1NPC1KMT2AL3MBTL1ALDH1A1
SCHEMBL18244599 0.79 ALDH1A1 (0.63) MEN1NPC1KMT2AL3MBTL1ALDH1A1
SCHEMBL5978889 0.79 ALDH1A1 (0.53) MEN1NPC1KMT2AL3MBTL1ALDH1A1

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-1991531-A1 CINNOLINE AND QUINOXALINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
WO-2007100880-A1 CINNOLINE AND QUINAZOLINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-07 WO disclosed