SCHEMBL4244543

SCHEMBL4244543

Nc1ccc2c(C(=O)NCc3ccc(CNC(=O)O)cc3)cccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 3/20 0.56
HDAC2 Q92769 4/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
APEX1 P27695 1/20 0.49
POLA1 P09884 1/20 0.48
GALR3 O60755 1/20 0.47
NR2F2 P24468 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL1110239 0.93 NSD2 (0.64) NSD2HDAC2HDAC3HDAC4HDAC1
SCHEMBL1320296 0.87 HDAC2 (0.50) NSD2HDAC2HDAC3HDAC4HDAC1
SCHEMBL6253635 0.86 HDAC2 (0.72) NSD2HDAC2HDAC3HDAC4HDAC1
SCHEMBL12119308 0.84 HDAC2 (0.47) NSD2HDAC2HDAC3HDAC4HDAC1
SCHEMBL1110388 0.82 HDAC2 (0.43) NSD2HDAC2HDAC3HDAC4HDAC1
SCHEMBL1110390 0.81 HDAC2 (0.45) NSD2HDAC2HDAC3HDAC4HDAC1
SCHEMBL1110584 0.79 PLK1 (0.65) HDAC8KDM4EALDH1A1
SCHEMBL27903143 0.78 HDAC2 (0.73) NSD2HDAC2HDAC3HDAC4HDAC1
SCHEMBL1110394 0.77 HDAC2 (0.41) NSD2HDAC2HDAC3HDAC4HDAC1
SCHEMBL4245444 0.75 TUBB (0.49) HDAC2HDAC3HDAC4HDAC1HDAC7

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
WO-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 WO disclosed