SCHEMBL369893

SCHEMBL369893

CN(C)c1ccc(C(CCc2ccncc2)c2c[nH]c3ccccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.64
L3MBTL1 Q9Y468 9/20 0.64
MEN1 O00255 9/20 0.64
MAPT P10636 8/20 0.64
ALDH1A1 P00352 7/20 0.64
TDP1 Q9NUW8 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
USP2 O75604 1/20 0.64
MAPK1 P28482 3/20 0.54
MCL1 Q07820 3/20 0.50
GAA P10253 3/20 0.50
LMNA P02545 2/20 0.50
CYP2D6 P10635 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
KCNH2 Q12809 1/20 0.49
GPR84 Q9NQS5 2/20 0.49
FFAR1 O14842 1/20 0.49
HAT1 O14929 1/20 0.45
EP300 Q09472 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
SCHEMBL368646 0.80 GAA (0.66) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL10280819 0.78 GPBAR1 (0.69) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL368407 0.78 GPBAR1 (0.69) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL368406 0.78 GPBAR1 (0.69) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL20869596 0.77 GPR84 (0.73) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL24145205 0.74 MAPT (0.68) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL9804914 0.74 MAPT (0.68) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL2073839 0.72 SLC6A4 (0.66) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL21399848 0.72 GPR84 (0.59) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL108954 0.70 GPR84 (0.84) KMT2AL3MBTL1MEN1MAPTALDH1A1

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-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed