SCHEMBL28526408

SCHEMBL28526408

COC(=O)C(CCCCCCNC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.50
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 7/20 0.47
POLB P06746 3/20 0.47
ATM Q13315 2/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
MAPT P10636 4/20 0.42
ALDH1A1 P00352 1/20 0.39
PAX8 Q06710 1/20 0.39

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
SCHEMBL28526406 1.00 TDP1 (0.50) TDP1MEN1KMT2AGAANPSR1
SCHEMBL16534098 0.90 MEN1 (0.46) TDP1MEN1KMT2AGAANPSR1
SCHEMBL28528596 0.89 MEN1 (0.56) TDP1MEN1KMT2AGAANPSR1
SCHEMBL28528598 0.89 MEN1 (0.56) TDP1MEN1KMT2AGAANPSR1
SCHEMBL26745078 0.88 MEN1 (0.46) TDP1MEN1KMT2AGAANPSR1
SCHEMBL26745132 0.88 MEN1 (0.46) TDP1MEN1KMT2AGAANPSR1
SCHEMBL24796279 0.84 MEN1 (0.41) TDP1MEN1KMT2AGAANPSR1
SCHEMBL21389234 0.84 MEN1 (0.41) TDP1MEN1KMT2AGAANPSR1
SCHEMBL26634653 0.84 MEN1 (0.41) TDP1MEN1KMT2AGAANPSR1
SCHEMBL31757953 0.81 SERPINE1 (0.39) TDP1MEN1KMT2AGAANPSR1

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-112236161-A Modulators of G protein-coupled receptors 卡莫特治疗学股份有限公司 2021-01-15 CN disclosed