SCHEMBL3667447

SCHEMBL3667447

CC(C)(C)OC(=O)NCNc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.47
IDO1 P14902 1/20 0.47
KDM4A O75164 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
BCHE P06276 1/20 0.45
SYK P43405 1/20 0.45
CTSS P25774 3/20 0.45
CTSK P43235 2/20 0.45
PTPN11 Q06124 1/20 0.45
AKT1 P31749 2/20 0.43
NAMPT P43490 2/20 0.43
NPFFR1 Q9GZQ6 1/20 0.43
NPFFR2 Q9Y5X5 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL7203913 0.85 MALT1 (0.59) MALT1IDO1KDM4ACA12CA1
SCHEMBL11573216 0.83 NR1H4 (0.45) PTPN11NAMPTMEN1RAB9AKMT2A
SCHEMBL10126784 0.83 MEN1 (0.53) MALT1IDO1CA12CA1BCHE
SCHEMBL21224591 0.81 TDP1 (0.58) MALT1IDO1CA12CA1MEN1
SCHEMBL30479477 0.81 MALT1 (0.46) MALT1IDO1KDM4ACA12CA1
SCHEMBL19036151 0.79 GAA (0.65) IDO1KDM4ACTSKMEN1NPC1
SCHEMBL23736432 0.78 MALT1 (0.43) MALT1IDO1KDM4ACA12CA1
SCHEMBL25859374 0.78 HDAC1 (0.50) MALT1IDO1KDM4ACA12CA1
SCHEMBL9027360 0.78 LMNA (0.48) MALT1IDO1CA12CA1CA7
SCHEMBL6635582 0.78 NPFFR1 (0.52) CA1PTPN11NAMPTNPFFR1NPFFR2

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
CN-119707984-A Pyrazolotriazine and pyrazolopyrimidine derivative, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2025-03-28 CN disclosed
EP-2231667-A2 BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-09-29 EP disclosed
WO-2009091856-A2 BETA-LACTAMASE INHIBITORS MERCK & CO., INC. (US) 2009-07-23 WO disclosed
US-5298409-A Of esters, antigen diastereomers which are stable analogs of the unstable ester transition states THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-03-29 US disclosed
US-5190865-A Antibody-enhanced stereospecific hydrolyses THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-03-02 US disclosed