SCHEMBL3626810

SCHEMBL3626810

C#CC(O)c1cccc(-c2c(C)nc3ncnn3c2N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 7/20 0.40
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 4/20 0.37
ALDH1A1 P00352 4/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.36
ENPP1 P22413 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
CREBBP Q92793 1/20 0.36
TSHR P16473 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL3626812 0.77 MBOAT4 (0.39) MBOAT4KDM4EMAPK1MAPTENPP1
SCHEMBL10372114 0.76 NPC1 (0.56) MBOAT4KDM4EMAPK1ALDH1A1MAPT
SCHEMBL3629809 0.75 MBOAT4 (0.45) MBOAT4KDM4ETSHR
SCHEMBL14491199 0.71 ALDH1A1 (0.49) MBOAT4ALDH1A1ENPP1
SCHEMBL373769 0.71 MAP3K14 (0.48) MBOAT4KDM4EALDH1A1HPGDRAB9A
SCHEMBL4906210 0.71 MBOAT4 (0.38) MBOAT4MAPK1HPGD
SCHEMBL607989 0.70 MBOAT4 (0.43) MBOAT4KDM4EMAPK1ALDH1A1GAA
SCHEMBL610632 0.70 MBOAT4 (0.43) MBOAT4KDM4EMAPK1ALDH1A1GAA
SCHEMBL612481 0.70 MBOAT4 (0.43) MBOAT4KDM4EMAPK1ALDH1A1GAA
SCHEMBL302642 0.67 MBOAT4 (0.50) MBOAT4ALDH1A1MAPTHPGDNPC1

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