SCHEMBL3626812

SCHEMBL3626812

Cc1nc2ncnn2c(N)c1-c1cccc(C#CCO)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 12/20 0.39
KDM4E B2RXH2 2/20 0.38
ENPP1 P22413 4/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
KMT2A Q03164 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL3629813 0.78 MBOAT4 (0.39) MBOAT4MEN1NPC1CASP3KMT2A
SCHEMBL3626810 0.77 MBOAT4 (0.40) MBOAT4KDM4EENPP1MEN1NPC1
SCHEMBL10372114 0.76 NPC1 (0.56) MBOAT4KDM4EENPP1MEN1NPC1
SCHEMBL14491199 0.71 ALDH1A1 (0.49) MBOAT4ENPP1
SCHEMBL373769 0.71 MAP3K14 (0.48) MBOAT4KDM4EMEN1KMT2A
SCHEMBL3629809 0.69 MBOAT4 (0.45) MBOAT4KDM4E
SCHEMBL302642 0.67 MBOAT4 (0.50) MBOAT4MEN1NPC1CASP3KMT2A
SCHEMBL14373948 0.67 USP2 (0.48) MBOAT4KDM4EENPP1MEN1NPC1
SCHEMBL14490818 0.66 KDM4E (0.56) MBOAT4KDM4EENPP1MEN1NPC1
SCHEMBL14491955 0.66 MBOAT4 (0.48) MBOAT4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142552-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2010-01-13 EP claimed
WO-2008134690-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-11-06 WO claimed
EP-2142552-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2010-01-13 EP disclosed
WO-2008134690-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed