SCHEMBL1661666

SCHEMBL1661666

CC(C)(Cc1nc(Cl)ccc1Cl)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
KMT2A Q03164 3/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPKAPK2 P49137 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CCR9 P51686 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL31582761 0.77 ALDH1A1 (0.34) ALDH1A1KMT2AMAPTCCR9POLB
SCHEMBL27827809 0.73 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTPOLBMEN1
SCHEMBL17849008 0.71 ALDH1A1 (0.40) ALDH1A1KMT2ALMNAMAPTKDM4E
SCHEMBL29223296 0.71 LMNA (0.40) ALDH1A1KMT2ALMNAMAPTMAPKAPK2
SCHEMBL29686979 0.69 AKR1B1 (0.44) ALDH1A1KMT2ALMNAMAPTKDM4E
SCHEMBL19975190 0.69 AKR1B1 (0.44) ALDH1A1KMT2ALMNAMAPTKDM4E
SCHEMBL13180802 0.69 CYP1A2 (0.40) ALDH1A1LMNAMAPKAPK2L3MBTL1KDM4E
SCHEMBL17261450 0.69 FDPS (0.51)
SCHEMBL29636350 0.69 LMNA (0.31) LMNA
SCHEMBL2656228 0.68 ALDH1A1 (0.39) ALDH1A1KMT2ALMNAMAPTL3MBTL1

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-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO disclosed