SCHEMBL17829466

SCHEMBL17829466

CCC(C)(C)C(=O)Nc1nnn[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
CCR2 P41597 1/20 0.35
RIPK1 Q13546 4/20 0.35
ALDH1A1 P00352 2/20 0.33
PTGES O14684 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR2 P34972 4/20 0.33
CNR1 P21554 2/20 0.33
F2 P00734 1/20 0.33

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
SCHEMBL10175725 0.82 MAPT (0.46) L3MBTL1NPC1RAB9ALMNAPOLB
SCHEMBL13446577 0.78 KMT2A (0.37) L3MBTL1NPC1RAB9ALMNAPOLB
SCHEMBL2294837 0.76
SCHEMBL10225946 0.75 LMNA (0.43) L3MBTL1NPC1RAB9ALMNAALDH1A1
SCHEMBL3645380 0.75 CA2 (0.38) L3MBTL1NPC1RAB9AALDH1A1HTT
SCHEMBL9129001 0.72 CYP2C19 (0.46) MAPTSMN1; SMN2HSD17B10
SCHEMBL13446579 0.72 ABL1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL14619635 0.72 LMNA (0.44) BRD4L3MBTL1NPC1RAB9ALMNA
SCHEMBL12057465 0.72 MDM2 (0.33)
SCHEMBL9128672 0.71 CYP2C19 (0.45) MAPTSMN1; SMN2HSD17B10

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
US-20160168302-A1 SEPARATING AGENT NATIONAL UNIVERSITY CORPORATION KYOTO INSTITUTE OF TECHNOLOGY (JP) 2016-06-16 US disclosed