SCHEMBL27913610

SCHEMBL27913610

O=C(O)c1cc(F)cc(-n2cnc(C(F)(F)F)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.39
SYK P43405 2/20 0.38
TTR P02766 1/20 0.38
NR2E1 Q9Y466 2/20 0.37
GCGR P47871 2/20 0.36
HCAR2 Q8TDS4 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
P2RY14 Q15391 3/20 0.34
ATR Q13535 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
SCHEMBL27931361 0.82 GCGR (0.39) NR2E1GCGRMRGPRX4P2RY14
SCHEMBL27931358 0.81 HCAR2 (0.41) NR2E1GCGRHCAR2
SCHEMBL27913342 0.81 MEN1 (0.47) SYKNR2E1MRGPRX4
SCHEMBL28371862 0.80 GCGR (0.47) GCGR
SCHEMBL24526678 0.77 TTR (0.39) HCAR1TTRNR2E1HCAR2
SCHEMBL28660386 0.76 TTR (0.39) HCAR1TTRHCAR2P2RY14
SCHEMBL31133385 0.76 HCAR1 (0.48) HCAR1TTRHCAR2
SCHEMBL21816143 0.76 HCAR1 (0.48) HCAR1TTRHCAR2
SCHEMBL396514 0.74 NR2E1 (0.64) NR2E1
SCHEMBL29874680 0.74 NR2E1 (0.64) NR2E1

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
CN-103221047-A Compounds and methods TEMPERO PHARMACEUTICALS INC 2013-07-24 CN disclosed