SCHEMBL7064646

SCHEMBL7064646

Cc1ccc(C(NC(=O)O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
POLB P06746 2/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
KDM4E B2RXH2 2/20 0.56
GRIK1 P39086 1/20 0.55
MAPT P10636 6/20 0.52
HTT P42858 4/20 0.52
RAB9A P51151 2/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ATM Q13315 1/20 0.51
TP53 P04637 3/20 0.50
XBP1 P17861 1/20 0.50

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
SCHEMBL6719100 0.91 ALDH1A1 (0.64) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL8336482 0.79 SMN1; SMN2 (0.58) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL8337364 0.79 SMN1; SMN2 (0.58) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL9721896 0.78 ALDH1A1 (0.58) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL9870442 0.78 KDM4E (0.71) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL6715528 0.78 HSD17B10 (0.53) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL6720054 0.77 RAB9A (0.55) MEN1KMT2APOLBMAPTHTT
SCHEMBL13875344 0.76 KMT2A (0.77) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL6719158 0.76 ULK1 (0.61) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL6718828 0.76 ALDH1A1 (0.61) MEN1KMT2ASMN1; SMN2POLBALDH1A1

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