SCHEMBL4782541

SCHEMBL4782541

O=C(C1CCCN(c2nc(-c3cccc(O)c3)nc(N3CCc4ccccc4C3CO)n2)C1)N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 16/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.38
ABCB11 O95342 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
OPRK1 P41145 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4784742 0.94 PIK3CA (0.42) LMNAMAPK1MAPTHSD17B10ALDH1A1
SCHEMBL4786822 0.91 HSD17B10 (0.42) LMNAMAPK1MAPTHSD17B10ALDH1A1
SCHEMBL4785045 0.85 PIK3CA (0.39)
SCHEMBL4785055 0.85 PIK3CA (0.39)
SCHEMBL4785891 0.84 PIK3CA (0.46) LMNAMAPTHSD17B10ALDH1A1
SCHEMBL4782543 0.83 DGAT2 (0.42) DGAT2LMNAMAPK1MAPTHSD17B10
SCHEMBL4782397 0.82 PIK3CA (0.39)
SCHEMBL4782625 0.81 PIK3CA (0.40)
SCHEMBL4782618 0.81 PIK3CA (0.40)
SCHEMBL4786374 0.81 KDM4E (0.44) LMNAMAPK1MAPTHSD17B10ALDH1A1

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-2008072850-A1 TRIAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-19 WO disclosed