SCHEMBL6918329

SCHEMBL6918329

Cc1ccc(NC(=O)Cc2ccccc2)cc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.67
RAB9A P51151 6/20 0.66
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
NPC1 O15118 4/20 0.66
CYP3A4 P08684 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
EPHX2 P34913 1/20 0.64
ALDH1A1 P00352 4/20 0.62
LMNA P02545 2/20 0.62
KDM4E B2RXH2 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
HPGD P15428 1/20 0.59
MAPT P10636 1/20 0.59
USP2 O75604 1/20 0.58
GAA P10253 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL25839996 0.87 ALDH1A1 (0.74) POLBRAB9AMEN1KMT2ANPC1
SCHEMBL11317939 0.86 POLB (0.60) POLBRAB9AMEN1KMT2ANPC1
SCHEMBL11317896 0.86 EPHX2 (0.58) POLBRAB9AMEN1KMT2ANPC1
SCHEMBL14426547 0.86 MEN1 (0.68) POLBRAB9AMEN1KMT2ANPC1
SCHEMBL3649343 0.84 GAA (0.71) POLBMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL29502867 0.82 KMT2A (0.68) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL18702851 0.82 KMT2A (0.68) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL257816 0.81 EPHX2 (0.76) POLBRAB9AMEN1KMT2ANPC1
SCHEMBL11900270 0.81 EPHX2 (0.81) POLBRAB9AMEN1KMT2ANPC1
SCHEMBL2010056 0.81 POLB (1.00) POLBRAB9AMEN1KMT2ANPC1

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-2004022528-A2 ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed