SCHEMBL27965809

SCHEMBL27965809

CC(OC=O)c1c[nH]c2cccc(N)c12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.35
HTR2A P28223 5/20 0.34
HTR2C P28335 3/20 0.34
HTR2B P41595 3/20 0.34
GPR84 Q9NQS5 2/20 0.33
FFAR1 O14842 1/20 0.33
CLK1 P49759 1/20 0.33
NR4A2 P43354 1/20 0.31
JAK2 O60674 1/20 0.30
RPS6KA3 P51812 1/20 0.30
MELK Q14680 1/20 0.30
STK24 Q9Y6E0 1/20 0.30
PIM3 Q86V86 1/20 0.30

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
SCHEMBL27369292 0.84 GPR84 (0.44) CYP2A6HTR2AHTR2CHTR2BGPR84
SCHEMBL27771264 0.83 HTR2A (0.44) CYP2A6HTR2AHTR2CHTR2BNR4A2
SCHEMBL27524231 0.83 NR4A2 (0.46) CYP2A6HTR2AHTR2CHTR2BGPR84
SCHEMBL27906752 0.83 FFAR1 (0.43) CYP2A6HTR2AHTR2CHTR2BGPR84
SCHEMBL28678155 0.82 HTR2A (0.45) HTR2AHTR2CHTR2BCLK1
SCHEMBL28293156 0.81 ALDH1A1 (0.39) NR4A2
SCHEMBL27908791 0.81 HTR2A (0.35) CYP2A6HTR2AHTR2CHTR2BGPR84
SCHEMBL28291599 0.80 POLB (0.37) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL28818816 0.80 SLC6A4 (0.39) CYP2A6HTR2AGPR84FFAR1
SCHEMBL27704230 0.79 BACE1 (0.40) GPR84FFAR1CLK1

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-103957910-A Compounds and methods for enhancing innate immune responses GLAXOSMITHKLINE LLC 2014-07-30 CN disclosed