SCHEMBL13537101

SCHEMBL13537101

CC(C)Cn1cc(-c2cccnc2)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.60
CYP2A6 P11509 5/20 0.47
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPK1 P28482 1/20 0.46
NAMPT P43490 1/20 0.43
PDK2 Q15119 2/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
DYRK1A Q13627 1/20 0.43
JAK2 O60674 1/20 0.41
CYP2E1 P05181 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2B6 P20813 2/20 0.41
CYP2C19 P33261 2/20 0.41
NR1D1 P20393 1/20 0.40
ACHE P22303 2/20 0.40
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL885907 0.83 L3MBTL1 (0.59) L3MBTL1MAPK1NAMPTPDK2PRMT5
SCHEMBL12369720 0.82 L3MBTL1 (0.65) L3MBTL1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL12395304 0.79 L3MBTL1 (0.61) L3MBTL1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL12269974 0.78 PRMT5 (0.45) MAPK1NAMPTPDK2PRMT5WDR77
SCHEMBL19825676 0.78 L3MBTL1 (0.63) L3MBTL1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL13036040 0.77 PRMT5 (0.47) L3MBTL1NAMPTPDK2PRMT5WDR77
SCHEMBL13827603 0.77 L3MBTL1 (0.58) L3MBTL1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL13819903 0.76 L3MBTL1 (0.57) L3MBTL1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL21054318 0.76 NAMPT (0.41) L3MBTL1MAPK1NAMPTPDK2PRMT5
SCHEMBL18625816 0.76 KDR (0.54) NAMPT

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-2010010288-A2 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-01-28 WO disclosed