SCHEMBL3629813

SCHEMBL3629813

Cc1nc2ncnn2c(N)c1-c1ccc(C#CCCO)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 17/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ EGLN2 Q96KS0 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 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
SCHEMBL3626812 0.78 MBOAT4 (0.39) MBOAT4MEN1NPC1KMT2ACASP3
SCHEMBL10372114 0.75 NPC1 (0.56) MBOAT4MEN1NPC1KMT2ARAB9A
SCHEMBL302642 0.73 MBOAT4 (0.50) MBOAT4MEN1NPC1KMT2ARAB9A
SCHEMBL3629809 0.72 MBOAT4 (0.45) MBOAT4
SCHEMBL373769 0.70 MAP3K14 (0.48) MBOAT4MEN1KMT2ARAB9A
SCHEMBL612490 0.69 ENPP1 (0.45) MBOAT4EGLN2
SCHEMBL14491955 0.67 MBOAT4 (0.48) MBOAT4KMT2A
SCHEMBL21222854 0.67 MBOAT4 (0.56) MBOAT4
SCHEMBL611859 0.67 ALDH1A1 (0.45) MBOAT4KMT2ARAB9A
SCHEMBL611599 0.67 MBOAT4 (0.44) MBOAT4

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
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