SCHEMBL742853

SCHEMBL742853

CC(C)(C)OC(=O)N1CCCC(C(=O)N(N)c2cccc(Cl)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
USP30 Q70CQ3 4/20 0.44
HSD11B1 P28845 1/20 0.42
ANO1 Q5XXA6 1/20 0.42
TP53 P04637 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9994852 0.90 STS (0.47) STSMEN1KMT2AMAPTUSP30
SCHEMBL739287 0.88 ALDH1A1 (0.44) MEN1KMT2AMAPTALDH1A1USP30
SCHEMBL742792 0.87 MEN1 (0.47) STSMEN1KMT2AMAPTALDH1A1
SCHEMBL740947 0.82 MEN1 (0.47) STSMEN1KMT2AMAPTALDH1A1
SCHEMBL971485 0.80 KDM2B (0.60) STSMEN1KMT2AMAPTALDH1A1
SCHEMBL971486 0.80 KDM2B (0.60) STSMEN1KMT2AMAPTALDH1A1
SCHEMBL9995010 0.78 GPR119 (0.47) STSMEN1KMT2AUSP30
SCHEMBL3739373 0.77 USP30 (0.50) MEN1KMT2AMAPTALDH1A1USP30
SCHEMBL3005017 0.76 STS (0.42) STSMEN1KMT2AMAPTUSP30
SCHEMBL13502918 0.76 STS (0.48) STSMEN1KMT2AMAPTUSP30

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
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed