SCHEMBL31472401

SCHEMBL31472401

CC(=O)Nc1ccc(Cl)c(C2COCCCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.42
CECR2 Q9BXF3 1/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 1/20 0.41
MALT1 Q9UDY8 1/20 0.39
RAB9A P51151 1/20 0.39
UCHL1 P09936 1/20 0.39
USP30 Q70CQ3 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 4/20 0.38
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
NTRK1 P04629 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL31472353 1.00 ATAD2 (0.42) ATAD2CECR2KMT2ANPC1MEN1
SCHEMBL21491336 1.00 ATAD2 (0.42) ATAD2CECR2KMT2ANPC1MEN1
SCHEMBL29456653 1.00 ATAD2 (0.42) ATAD2CECR2KMT2ANPC1MEN1
SCHEMBL21491227 0.86 ATAD2 (0.44) ATAD2CECR2KMT2AMEN1ALDH1A1
SCHEMBL21491427 0.84 NR1H2 (0.42) KMT2AMEN1POLBMALT1ALDH1A1
SCHEMBL21491244 0.84 TSHR (0.40) KMT2AMEN1POLBMALT1RAB9A
SCHEMBL31472390 0.84 NR1H2 (0.42) KMT2AMEN1POLBMALT1ALDH1A1
SCHEMBL31472404 0.84 TSHR (0.40) KMT2AMEN1POLBMALT1RAB9A
SCHEMBL31472366 0.83 HSP90AA1 (0.46) KMT2ANPC1MEN1POLBMALT1
SCHEMBL21491100 0.83 HSP90AA1 (0.46) KMT2ANPC1MEN1POLBMALT1

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-112236428-B Antiproliferative compounds and uses thereof 默克专利股份有限公司 2025-04-01 CN disclosed