SCHEMBL7867482

SCHEMBL7867482

CCN(CCCBr)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.45
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA9 Q16790 2/20 0.39
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
SSTR4 P31391 1/20 0.34
NAMPT P43490 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA7 P43166 1/20 0.33
LMNA P02545 1/20 0.32
CTSK P43235 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC3 O15379 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL15085740 0.87 CA14 (0.53) CA14CA12CA1CA9HDAC6
SCHEMBL14175259 0.85 CA12 (0.50) CA14CA12CA1CA9HDAC6
SCHEMBL8628224 0.84 CA14 (0.54) CA14CA12CA1CA9HDAC6
SCHEMBL17814903 0.84 CA14 (0.50) CA14CA12CA1CA9HDAC6
SCHEMBL3551705 0.84 CA14 (0.50) CA14CA12CA1CA9HDAC6
SCHEMBL8850983 0.84 CA14 (0.54) CA14CA12CA1CA9HDAC6
SCHEMBL6674630 0.82 CA14 (0.45) CA14CA12CA1CA9HDAC6
SCHEMBL20875994 0.82 CA14 (0.45) CA14CA12CA1CA9HDAC6
SCHEMBL8089459 0.82 CA14 (0.45) CA14CA12CA1CA9HDAC6
SCHEMBL4574540 0.82 CA14 (0.53) CA14CA12CA1CA9HDAC6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022206888-A1 CDK2 INHIBITORS AND USE THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2022-10-06 WO disclosed
EP-0815081-B1 PIPERIDINYL-2-ALKYL SUBSTITUTED LINEAR POLYAMINES FOR THE REDUCTION OF INTRACELLULAR, ENDOGENIC POLYAMINE LEVELS SUCH AS PUTRESCINE, SPERMIDINE AND SPERMINE, AND THEIR IMPACT ON CELL PROLIFERATION NOVARTIS AG (CH) 2001-10-04 EP disclosed
US-5834486-A ANTIPROLIFERATIVE, ANTIPROTOZOA AGENTS NOVARTIS AG (CH) 1998-11-10 US disclosed
EP-0815081-A1 PIPERIDINYL-2-ALKYL SUBST. LINEAR POLYAMINES FOR THE REDUCTION OF INTRACELLULAR, ENDOGENIC POLYAMINE LEVELS SUCH AS PUTRESCINE, SPERMIDINE AND SPERMINE, AND THEIR IMPACT ON CELL PROLIFERATION Novartis AG (CH) 1998-01-07 EP disclosed
WO-1996028425-A1 PIPERIDINYL-2-ALKYL SUBST. LINEAR POLYAMINES FOR THE REDUCTION OF INTRACELLULAR, ENDOGENIC POLYAMINE LEVELS SUCH AS PUTRESCINE, SPERMIDINE AND SPERMINE, AND THEIR IMPACT ON CELL PROLIFERATION NOVARTIS AG (CH) 1996-09-19 WO disclosed