SCHEMBL335948

SCHEMBL335948

Nc1nc2ccc(NC(=O)C(O)C(NC(=O)c3ccc(-c4ccccc4)cc3)c3ccccc3)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.45
FABP6 P51161 1/20 0.45
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
CHEK2 O96017 3/20 0.43
DGAT1 O75907 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NR2E3 Q9Y5X4 2/20 0.42
ACP1 P24666 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL335288 0.94 MAPT (0.54) ABL1FABP6MAPTPOLBLMNA
SCHEMBL15282160 0.94 ABL1 (0.42) ABL1FABP6MAPTPOLBLMNA
SCHEMBL336367 0.94 MAPT (0.47) ABL1FABP6MAPTPOLBLMNA
SCHEMBL335878 0.91 ABL1 (0.43) ABL1FABP6MAPTPOLBLMNA
SCHEMBL335576 0.90 ABL1 (0.43) ABL1FABP6MAPTPOLBLMNA
SCHEMBL336586 0.90 GRIN1 (0.44) ABL1FABP6CHEK2ACP1F9
SCHEMBL8219489 0.90 F9 (0.43) ABL1FABP6MAPTDGAT1SMN1; SMN2
SCHEMBL335390 0.90 ABL1 (0.44) ABL1FABP6MAPTPOLBCHEK2
SCHEMBL336448 0.89 TYMS (0.45) ABL1FABP6MAPTACP1F9
SCHEMBL335501 0.89 NPC1 (0.43) ABL1FABP6MAPTCHEK2SMN1; SMN2

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
US-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US claimed