SCHEMBL885907

SCHEMBL885907

CC(C)Cn1cc(-c2ccccc2)cn1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
NAMPT P43490 2/20 0.52
PDK2 Q15119 3/20 0.49
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
ACHE P22303 2/20 0.44
CREBBP Q92793 2/20 0.42
ADORA2B P29275 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
MAPK1 P28482 1/20 0.41
JAK2 O60674 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
KDM5B Q9UGL1 1/20 0.40

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
SCHEMBL17795050 0.84 NAMPT (0.48) L3MBTL1NAMPTPDK2PRMT5WDR77
SCHEMBL13537101 0.83 L3MBTL1 (0.60) L3MBTL1NAMPTPDK2PRMT5WDR77
SCHEMBL17864527 0.83 NAMPT (0.47) L3MBTL1NAMPTPDK2PRMT5WDR77
SCHEMBL15376325 0.83 PRMT5 (0.50) L3MBTL1NAMPTPDK2PRMT5WDR77
SCHEMBL13036040 0.82 PRMT5 (0.47) L3MBTL1NAMPTPDK2PRMT5WDR77
SCHEMBL15340952 0.81 PRMT5 (0.49) L3MBTL1NAMPTPDK2PRMT5WDR77
SCHEMBL21054318 0.81 NAMPT (0.41) L3MBTL1NAMPTPDK2PRMT5WDR77
SCHEMBL17806561 0.80 ACHE (0.46) L3MBTL1NAMPTPDK2PRMT5WDR77
SCHEMBL10094623 0.80 PDK2 (0.54) L3MBTL1NAMPTPDK2PRMT5WDR77
SCHEMBL11825580 0.80 L3MBTL1 (0.53) L3MBTL1JAK2

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
EP-2429993-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2015-01-21 EP disclosed