SCHEMBL335890

SCHEMBL335890

CC(C)(C)c1ccc(C(=O)NC(c2ccccc2)C(O)C(=O)Nc2ccc3nc(N)[nH]c3c2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.40
TYMS P04818 1/20 0.39
F7 P08709 3/20 0.37
F9 P00740 2/20 0.37
INSR P06213 1/20 0.37
LCK P06239 1/20 0.37
LYN P07948 1/20 0.37
HCK P08631 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ABL1 P00519 1/20 0.37
FABP6 P51161 1/20 0.37
F11 P03951 1/20 0.36
PIN1 Q13526 2/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 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
SCHEMBL334912 0.87 F7 (0.40) ACP1TYMSF7F9RAB9A
SCHEMBL8219489 0.85 F9 (0.43) ACP1TYMSF7F9RAB9A
SCHEMBL335570 0.85 PIN1 (0.47) ACP1RAB9AMAPTABL1FABP6
SCHEMBL335286 0.84 ACP1 (0.42) ACP1TYMSF7RAB9AMAPT
SCHEMBL335244 0.83 MAPT (0.41) ACP1RAB9AMAPTNPC1ABL1
SCHEMBL15282285 0.83 ACP1 (0.46) ACP1F7RAB9AMAPTNPC1
SCHEMBL15282212 0.83 ACP1 (0.46) ACP1F7RAB9AMAPTNPC1
SCHEMBL336367 0.82 MAPT (0.47) ACP1TYMSF7F9RAB9A
SCHEMBL335878 0.81 ABL1 (0.43) ACP1TYMSF7F9MAPT
SCHEMBL335948 0.81 ABL1 (0.45) ACP1F7F9RAB9AMAPT

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