SCHEMBL762580

SCHEMBL762580

CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2N)C1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.62
HDAC2 Q92769 2/20 0.62
HDAC3 O15379 1/20 0.62
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ABL1 P00519 1/20 0.50
RIN1 Q13671 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
USP30 Q70CQ3 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 2/20 0.47

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
SCHEMBL19378084 1.00 HDAC1 (0.62) HDAC1HDAC2HDAC3KMT2AMEN1
SCHEMBL17533942 1.00 HDAC1 (0.62) HDAC1HDAC2HDAC3KMT2AMEN1
SCHEMBL5871130 0.89 KMT2A (0.60) KMT2AMEN1MAPTALDH1A1ABL1
SCHEMBL4101109 0.88 KMT2A (0.57) KMT2AMEN1MAPTALDH1A1ABL1
SCHEMBL14447471 0.88 PTPN2 (0.62) HDAC1HDAC2HDAC3KMT2AABL1
SCHEMBL25362018 0.87 SIRT2 (0.51) KMT2AMEN1MAPTALDH1A1ABL1
SCHEMBL30496077 0.87 SIRT2 (0.51) KMT2AMEN1MAPTALDH1A1ABL1
SCHEMBL3739365 0.87 PARP1 (0.53) KMT2AMEN1MAPTALDH1A1ABL1
SCHEMBL742851 0.86 STS (0.48) HDAC1HDAC2HDAC3KMT2AMEN1
SCHEMBL742852 0.86 STS (0.48) HDAC1HDAC2HDAC3KMT2AMEN1

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