SCHEMBL28989191

SCHEMBL28989191

COC(=O)c1ccccc1N1CC(C)C(N)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 4/20 0.44
CFTR P13569 1/20 0.44
SIRT1 Q96EB6 1/20 0.43
TSHR P16473 3/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 5/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL28989185 0.90 MYC (0.50) MYCSMN1; SMN2POLBKMT2AMEN1
SCHEMBL28989223 0.81 ALDH1A1 (0.45) MYCSMN1; SMN2POLBKMT2AMEN1
SCHEMBL27685972 0.80 MYC (0.46) MYCSMN1; SMN2POLBKMT2AMEN1
SCHEMBL28989176 0.80 ALDH1A1 (0.44) MYCSMN1; SMN2POLBKMT2AMEN1
SCHEMBL26103588 0.78 MYC (0.49) MYCSMN1; SMN2POLBKMT2AMEN1
SCHEMBL6828910 0.76 ALDH1A1 (0.50) MYCSMN1; SMN2POLBKMT2AMEN1
SCHEMBL15630880 0.76 DPP4 (0.51) MYCSMN1; SMN2POLBKMT2AMEN1
SCHEMBL2069663 0.76 DPP4 (0.51) MYCSMN1; SMN2POLBKMT2AMEN1
SCHEMBL27997461 0.76 MYC (0.47) MYCSMN1; SMN2POLBKMT2AMEN1
SCHEMBL13698798 0.75 ALDH1A1 (0.59) MYCSMN1; SMN2POLBKMT2AMEN1

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
CN-115996908-A Antagonists of GPR39 proteins 俄勒冈健康科学大学 2023-04-21 CN disclosed