SCHEMBL7017064

SCHEMBL7017064

O=C(Cc1cccnc1)Cc1nc2cc(C(F)(F)F)c(Cl)cc2n1-c1ccc(CCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 1/20 0.41
TRPV1 Q8NER1 2/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
MAP3K7 O43318 1/20 0.36
IRAK1 P51617 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
NAMPT P43490 2/20 0.35
CXCR3 P49682 5/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NOTUM Q6P988 1/20 0.34
MAPT P10636 1/20 0.34
AR P10275 1/20 0.34
EGFR P00533 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL1626074 0.87 AOC2 (0.43) AOC2TRPV1HDAC1HDAC8MAP3K7
SCHEMBL1625609 0.84 AOC2 (0.37) AOC2TRPV1MAP3K7IRAK1IRAK4
SCHEMBL1626200 0.81 AOC3 (0.50) MAPT
SCHEMBL1624237 0.79 NOTUM (0.39) TRPV1MAP3K7IRAK1IRAK4MEN1
SCHEMBL1626060 0.78 AOC2 (0.37) AOC2TRPV1MAP3K7IRAK1IRAK4
SCHEMBL3950318 0.77 AOC2 (0.42) AOC2TRPV1NAMPTMEN1KMT2A
SCHEMBL1625018 0.76 CTNNB1 (0.41) TRPV1MAP3K7IRAK1IRAK4MEN1
SCHEMBL3946684 0.76 RXFP1 (0.35) AOC2TRPV1NAMPTMEN1KMT2A
SCHEMBL1625413 0.75 NOTUM (0.37) AOC2TRPV1HDAC1HDAC8MAP3K7
SCHEMBL1625896 0.74 AOC3 (0.46) MAP3K7IRAK1IRAK4NOTUM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326864-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
WO-2002032900-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed