SCHEMBL4189990

SCHEMBL4189990

COC(=O)c1c(-c2cccnc2)c2cc(-c3ccc(C(F)(F)F)cc3)ccc2n1-c1ccc(OC(C)C)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.41
KDR P35968 2/20 0.37
NPC1 O15118 1/20 0.36
TNF P01375 1/20 0.36
RAB9A P51151 1/20 0.36
NOD1 Q9Y239 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 2/20 0.36
DYRK1A Q13627 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP3A5 P20815 1/20 0.35
CFTR P13569 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
PTGES O14684 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 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
SCHEMBL4023313 0.92 PTGES (0.40) KDRNPC1TNFRAB9ANOD1
SCHEMBL4023999 0.92 PPARD (0.38) NR4A2NPC1TNFRAB9ANOD1
SCHEMBL4021877 0.79 PTGES (0.46) PTGESPPARDPPARA
SCHEMBL5230129 0.78 S1PR1 (0.37) EPHX2CFTRMKNK1MKNK2MAPT
SCHEMBL4026661 0.78 F2RL3 (0.40) CYP3A4PTGESMAPTPPARDPPARA
SCHEMBL4021807 0.73 PTGES (0.60) PTGESPPARA
Hydrochloric Acid SCHEMBL4021808 0.73 PTGES (0.59) PTGESPPARA
SCHEMBL4024171 0.70 PTGES (0.58) CYP3A4CYP3A5PTGESPPARA
SCHEMBL333599 0.68 LMNA (0.50) MAPTPPARA
SCHEMBL3580289 0.67 PTGES (0.43) PTGES

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-1765775-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-04-29 EP disclosed