SCHEMBL933985

SCHEMBL933985

CN(C)CC(=C=O)c1ccc(Cl)nc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.46
DGAT1 O75907 2/20 0.43
PKM P14618 2/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 6/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 3/20 0.39
GRM4 Q14833 2/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 2/20 0.37

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
SCHEMBL1652097 0.83 HDAC1 (0.44) POLBKMT2AALDH1A1MAPT
SCHEMBL3411071 0.78 BCL2L1 (0.42) POLBALDH1A1L3MBTL1MAPTGAA
SCHEMBL3477054 0.78 NAPRT (0.46) NAPRTDGAT1PKMPOLBRAB9A
SCHEMBL4728543 0.77 RAB9A (0.44) DGAT1PKMPOLBRAB9AALDH1A1
SCHEMBL1654148 0.77 KMT2A (0.41) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL4540614 0.77 CYP11B1 (0.39) ALDH1A1L3MBTL1MAPT
SCHEMBL5759364 0.74 TDP1 (0.33)
SCHEMBL847542 0.73 ALDH1A1 (0.44) ALDH1A1LMNAGAA
SCHEMBL1651006 0.72 HCAR2 (0.46) PKMKMT2AMEN1ALDH1A1LMNA
SCHEMBL5774143 0.71 HTT (0.40) NAPRTKMT2AMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519241-A2 METHODS FOR TREATING AUTISM Afraxis, Inc. (US) 2012-11-07 EP disclosed
EP-2504011-A2 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT Afraxis, Inc. (US) 2012-10-03 EP disclosed
EP-2485733-A2 METHODS FOR TREATING ALZHEIMER'S DISEASE Afraxis, Inc. (US) 2012-08-15 EP disclosed
EP-2453896-A2 METHODS FOR TREATING SCHIZOPHRENIA Afraxis, Inc. (US) 2012-05-23 EP disclosed
WO-2011090666-A2 METHODS FOR TREATING AUTISM AFRAXIS, INC. (US) 2011-07-28 WO disclosed
WO-2011063415-A2 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT AFRAXIS, INC. (US) 2011-05-26 WO disclosed
WO-2011049150-A1 PYRONE COMPOUND AND ITS USE FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
WO-2011044537-A2 METHODS FOR TREATING ALZHEIMER'S DISEASE AFRAXIS, INC. (US) 2011-04-14 WO disclosed
WO-2011009097-A2 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2011-01-20 WO disclosed
WO-2010071846-A2 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS, INC. (US) 2010-06-24 WO disclosed
WO-2008034579-A1 2-HETEROCYCLYL-5-PHENOXYMETHYLPYRIDINE DERIVATIVES AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 WO disclosed