SCHEMBL742851

SCHEMBL742851

CC(C)(C)OC(=O)N1CCCC(C(=O)Nc2cccc(Cl)c2N)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.48
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
POLB P06746 1/20 0.47
PARP1 P09874 2/20 0.47
PARP2 Q9UGN5 2/20 0.47
USP30 Q70CQ3 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
NTRK1 P04629 1/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.44
HDAC3 O15379 1/20 0.44

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
SCHEMBL742852 1.00 STS (0.48) STSABL1RIN1POLBPARP1
SCHEMBL742791 0.88 GAA (0.55) ABL1RIN1USP30ALDH1A1KMT2A
SCHEMBL762544 0.88 GAA (0.55) ABL1RIN1USP30ALDH1A1KMT2A
SCHEMBL762580 0.86 HDAC1 (0.62) ABL1RIN1USP30ALDH1A1KMT2A
SCHEMBL17533942 0.86 HDAC1 (0.62) ABL1RIN1USP30ALDH1A1KMT2A
SCHEMBL19378084 0.86 HDAC1 (0.62) ABL1RIN1USP30ALDH1A1KMT2A
SCHEMBL740946 0.86 STS (0.48) STSABL1RIN1PARP1PARP2
SCHEMBL740945 0.86 STS (0.48) STSABL1RIN1PARP1PARP2
SCHEMBL4101109 0.83 KMT2A (0.57) ABL1RIN1USP30ALDH1A1KMT2A
SCHEMBL25362018 0.82 SIRT2 (0.51) ABL1RIN1PARP1USP30ALDH1A1

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