SCHEMBL16057232

SCHEMBL16057232

Cc1ccccc1Cc1cccnc1OC(=O)Oc1ncccc1Cc1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 2/20 0.39
MAOB P27338 1/20 0.39
REN P00797 1/20 0.39
KDM4E B2RXH2 2/20 0.39
P2RX7 Q99572 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
NOTUM Q6P988 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL16057233 0.90 HTT (0.41) HTTKMT2ANPSR1L3MBTL1MEN1
SCHEMBL16057903 0.85 NOTUM (0.41) HTTKMT2ANPSR1L3MBTL1MEN1
SCHEMBL17557050 0.84 KMT2A (0.48) HTTKMT2ANPSR1L3MBTL1MEN1
SCHEMBL16056978 0.83 MGLL (0.43) HTTKMT2ANPSR1L3MBTL1MEN1
SCHEMBL16058681 0.82 PAX8 (0.42) HTTL3MBTL1LMNARAB9A
SCHEMBL16057027 0.82 FFAR1 (0.43) HTTKMT2ANPSR1L3MBTL1MEN1
SCHEMBL16057944 0.81 L3MBTL1 (0.41) HTTL3MBTL1LMNANPC1RAB9A
SCHEMBL1597855 0.80 NOS3 (0.42) HTTKMT2ANPSR1L3MBTL1KDM4E
SCHEMBL16057657 0.80 PPARG (0.40) WNT3A
SCHEMBL14975891 0.79 MEN1 (0.42) HTTKMT2AMEN1LMNANPC1

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-2014144836-A2 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-18 WO disclosed