SCHEMBL28454875

SCHEMBL28454875

CC(C)(C)OC(=O)NCC=CCBr

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CA2 P00918 5/20 0.40
CA12 O43570 3/20 0.40
CA14 Q9ULX7 1/20 0.40
CTSK P43235 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
AKT1 P31749 1/20 0.37
CA1 P00915 4/20 0.36
CA9 Q16790 2/20 0.36
EPHX1 P07099 1/20 0.36
PTPN11 Q06124 1/20 0.35
CA7 P43166 1/20 0.35
IDO1 P14902 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL22288334 1.00 TDP1 (0.43) TDP1MEN1GAAKMT2ACA2
SCHEMBL18262010 0.90 TDP1 (0.50) TDP1MEN1GAAKMT2ACA2
SCHEMBL18487257 0.90 TDP1 (0.50) TDP1MEN1GAAKMT2ACA2
SCHEMBL18262007 0.90 TDP1 (0.50) TDP1MEN1GAAKMT2ACA2
SCHEMBL13092290 0.83 TDP1 (0.44) TDP1MEN1GAAKMT2ACA2
SCHEMBL20437999 0.83 TDP1 (0.44) TDP1MEN1GAAKMT2ACA2
SCHEMBL19420087 0.83 TDP1 (0.44) TDP1MEN1GAAKMT2ACA2
SCHEMBL7131446 0.83 TDP1 (0.44) TDP1MEN1GAAKMT2ACA2
SCHEMBL661593 0.83 TDP1 (0.49) TDP1MEN1GAAKMT2ACA2
SCHEMBL18262802 0.83 MEN1 (0.46) TDP1MEN1GAAKMT2ACA2

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-111499617-A Immunomodulator 成都先导药物开发股份有限公司 2020-08-07 CN disclosed