SCHEMBL13607142

SCHEMBL13607142

C=C(C)c1ccccc1NC(=O)N1CCN(c2ccc(C)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
MAPT P10636 5/20 0.60
KMT2A Q03164 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
MAPK1 P28482 1/20 0.60
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HCAR2 Q8TDS4 1/20 0.55
ALDH1A1 P00352 4/20 0.53
RECQL P46063 1/20 0.53
TP53 P04637 2/20 0.52
LMNA P02545 1/20 0.52
NAMPT P43490 1/20 0.52
HSD17B10 Q99714 3/20 0.51
POLB P06746 2/20 0.51
ME2 P23368 1/20 0.51
ME1 P48163 1/20 0.51
ME3 Q16798 1/20 0.51
PKM P14618 1/20 0.50

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
SCHEMBL14372233 0.82 KDM4E (0.60) KDM4EMAPTKMT2AL3MBTL1MAPK1
SCHEMBL13984146 0.79 KDM4E (0.67) KDM4EMAPTKMT2AL3MBTL1MAPK1
SCHEMBL26758591 0.76 MAPT (0.84) KDM4EMAPTMAPK1CYP2C9CYP2C19
SCHEMBL12994627 0.75 CA12 (0.76) KDM4EMAPTKMT2AMAPK1CYP2C9
SCHEMBL22601218 0.74 MAPT (0.76) KDM4EMAPTMAPK1CYP2C9CYP2C19
SCHEMBL5060746 0.73 MAPT (0.56) KDM4EMAPTKMT2AL3MBTL1MAPK1
SCHEMBL25263692 0.72 CA12 (0.59) KDM4EMAPTCYP2C19TP53LMNA
SCHEMBL28431287 0.72 RAB9A (0.60) KDM4EMAPTKMT2AL3MBTL1CYP2C19
SCHEMBL5060747 0.71 HCAR2 (0.65) KDM4EMAPTKMT2AL3MBTL1MAPK1
SCHEMBL9157751 0.71 MAPT (0.59) KDM4EMAPTKMT2AL3MBTL1CYP2C9

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-2009147170-A2 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2009-12-10 WO disclosed