SCHEMBL742792

SCHEMBL742792

COc1cccc(N(N)C(=O)C2CCCN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.43
USP30 Q70CQ3 4/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43
ABL2 P42684 1/20 0.43
STS P08842 1/20 0.42
RHOA P61586 1/20 0.42
HSD11B1 P28845 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 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
SCHEMBL739287 0.87 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTUSP30
SCHEMBL742853 0.87 STS (0.47) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL17913759 0.81 LMNA (0.62) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL740947 0.78 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTUSP30
SCHEMBL6712179 0.78 USP30 (0.49) MEN1KMT2AALDH1A1MAPTUSP30
SCHEMBL21359263 0.77 BCL9 (0.60) MEN1KMT2AALDH1A1LMNAUSP30
SCHEMBL9995010 0.77 GPR119 (0.47) MEN1KMT2AUSP30STS
SCHEMBL3739373 0.76 USP30 (0.50) MEN1KMT2AALDH1A1MAPTUSP30
SCHEMBL9994852 0.76 STS (0.47) MEN1KMT2AMAPTUSP30STS
SCHEMBL3177877 0.76 MEN1 (0.55) MEN1KMT2AALDH1A1USP30ABL1

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