SCHEMBL365837

SCHEMBL365837

CCOc1ccc(COc2cc(OC(=O)N(C)C)cn3c2c(C(N)=O)c2ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
LMNA P02545 2/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.35
PLK1 P53350 1/20 0.35
MAPT P10636 5/20 0.35
ALOX5 P09917 1/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL365769 0.92 LTB4R (0.39) CNR2LMNAKMT2AALDH1A1MAPT
SCHEMBL366374 0.91 ALDH1A1 (0.38) CNR2LMNAKMT2AALDH1A1MAPT
SCHEMBL366481 0.91 ACHE (0.39) PLK1NPC1RAB9ALTB4RLTB4R2
SCHEMBL365986 0.85 KMT2A (0.38) CNR2LMNAKMT2AALDH1A1MAPT
SCHEMBL365925 0.85 ACHE (0.42)
SCHEMBL366851 0.83 ALDH1A1 (0.38) CNR2KMT2AALDH1A1MAPTMEN1
SCHEMBL365593 0.83 MRGPRX4 (0.39) LTB4RLTB4R2SMN1; SMN2
SCHEMBL366612 0.83 ACHE (0.38) KMT2APLK1SMN1; SMN2
SCHEMBL365490 0.82 NCEH1 (0.39) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL365915 0.81 S1PR3 (0.37) CNR2KMT2AMAPTNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed