SCHEMBL335141

SCHEMBL335141

CC(C)c1cc(C(=O)NC(c2ccccc2)C(O)C(=O)Nc2ccc3nc(N)[nH]c3c2)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.40
FABP6 P51161 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.38
TYMS P04818 5/20 0.38
ACP1 P24666 1/20 0.38
F7 P08709 2/20 0.37
XIAP P98170 1/20 0.37
F9 P00740 1/20 0.37
MAPT P10636 4/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX12 P18054 1/20 0.36
F3 P13726 1/20 0.36
MCHR1 Q99705 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 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
SCHEMBL335599 0.88 RAB9A (0.44) ABL1FABP6TYMSACP1F7
SCHEMBL335878 0.87 ABL1 (0.43) ABL1FABP6NR2E3TYMSACP1
SCHEMBL335286 0.85 ACP1 (0.42) ABL1FABP6NR2E3TYMSACP1
SCHEMBL336031 0.85 ABL1 (0.41) ABL1FABP6NR2E3TYMSACP1
SCHEMBL335390 0.85 ABL1 (0.44) ABL1FABP6ACP1F7F9
SCHEMBL336367 0.84 MAPT (0.47) ABL1FABP6NR2E3TYMSACP1
SCHEMBL335948 0.84 ABL1 (0.45) ABL1FABP6NR2E3ACP1F7
SCHEMBL336353 0.83 MAPT (0.43) ABL1FABP6NR2E3TYMSF7
SCHEMBL8219489 0.83 F9 (0.43) ABL1FABP6TYMSACP1F7
SCHEMBL335420 0.83 NPC1 (0.46) ABL1FABP6NR2E3TYMSF7

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