SCHEMBL336031

SCHEMBL336031

Nc1nc2ccc(NC(=O)C(O)C(NC(=O)c3ccsc3)c3ccccc3)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.41
FABP6 P51161 1/20 0.41
ACP1 P24666 1/20 0.40
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
MAPT P10636 5/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 2/20 0.38
F9 P00740 1/20 0.37
F7 P08709 1/20 0.37
TYMS P04818 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 2/20 0.35

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
SCHEMBL336367 0.87 MAPT (0.47) ABL1FABP6ACP1MAPTRAB9A
SCHEMBL335948 0.86 ABL1 (0.45) ABL1FABP6ACP1MAPTRAB9A
SCHEMBL335390 0.86 ABL1 (0.44) ABL1FABP6ACP1MAPTRAB9A
SCHEMBL15282285 0.85 ACP1 (0.46) ABL1FABP6ACP1MAPTRAB9A
SCHEMBL15282212 0.85 ACP1 (0.46) ABL1FABP6ACP1MAPTRAB9A
SCHEMBL335878 0.85 ABL1 (0.43) ABL1FABP6ACP1MAPTF9
SCHEMBL335141 0.85 ABL1 (0.40) ABL1FABP6ACP1MAPTRAB9A
SCHEMBL335286 0.84 ACP1 (0.42) ABL1FABP6ACP1MAPTRAB9A
SCHEMBL335576 0.84 ABL1 (0.43) ABL1FABP6ACP1MAPTRAB9A
SCHEMBL8219489 0.84 F9 (0.43) ABL1FABP6ACP1KCNK9MAPT

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