SCHEMBL5207716

SCHEMBL5207716

CC(C)(C)OC(=O)NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1.NC(=O)c1sc2c(c1C(=O)O)CCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
NOD1 Q9Y239 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
FLT3 P36888 5/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
RORC P51449 1/20 0.35
GLS O94925 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
CXCR2 P25025 1/20 0.35
MGAM O43451 2/20 0.35
AMY1A P0DUB6 1/20 0.35
KIF11 P52732 1/20 0.34
HDAC1 Q13547 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL5209367 0.92 PDE4D (0.35) MEN1KMT2ARXFP1FLT3NPC1
Trifluoroacetic Acid SCHEMBL5211954 0.82 FLT3 (0.37) MEN1KMT2ANOD1RXFP1FLT3
SCHEMBL5214004 0.82 HDAC1 (0.45) GLSHDAC1
Trifluoroacetic Acid SCHEMBL5207372 0.80 RORC (0.47) KMT2AFLT3NPC1RAB9ARORC
SCHEMBL5203984 0.80 ALDH1A1 (0.41) MEN1KMT2ANOD1RXFP1FLT3
Trifluoroacetic Acid SCHEMBL5280152 0.79 ALDH1A1 (0.40) MEN1KMT2ANOD1RXFP1FLT3
Trifluoroacetic Acid SCHEMBL5209718 0.78 FLT3 (0.39) MEN1KMT2ARXFP1FLT3NPC1
Trifluoroacetic Acid SCHEMBL5204002 0.77 FLT3 (0.38) MEN1KMT2ARXFP1FLT3NPC1
Trifluoroacetic Acid SCHEMBL5628234 0.77 ALDH1A1 (0.38) MEN1KMT2ANOD1RXFP1FLT3
SCHEMBL5210889 0.77 NPC1 (0.40) NPC1RAB9AHDAC1LMNAPOLB

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
EP-1343561-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed