SCHEMBL27677017

SCHEMBL27677017

CCOC(=O)C1Cc2cc(-c3ccc(C#N)cc3)ccc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.44
HRH2 P25021 3/20 0.42
HRH1 P35367 3/20 0.42
HRH3 Q9Y5N1 1/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
PTGER4 P35408 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
OTUD7B Q6GQQ9 1/20 0.35
HSD17B3 P37058 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ELANE P08246 1/20 0.35
CYP2C9 P11712 1/20 0.35
USP30 Q70CQ3 1/20 0.35
CTSC P53634 1/20 0.35
CHRM2 P08172 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
SCHEMBL13540058 0.91 GAA (0.41) PGRHRH2HRH1HRH3GAA
SCHEMBL27677025 0.84 SMN1; SMN2 (0.39) GAAL3MBTL1CYP2C9
SCHEMBL27695550 0.83 MEN1 (0.40) GAACYP2C9
SCHEMBL27695614 0.80 PKM (0.46) HRH2HRH1PTGER4MMP2
SCHEMBL10256197 0.79 MEN1 (0.41) GAAL3MBTL1CYP2C9
SCHEMBL10909269 0.78 GAA (0.40) GAAL3MBTL1CYP2C9
SCHEMBL3257026 0.77 ALDH1A1 (0.42) GAACYP2C9
SCHEMBL11956678 0.77 TNF (0.41) GAAL3MBTL1PTGER4CYP2C9
SCHEMBL3256606 0.77 LMNA (0.42) GAA
SCHEMBL862757 0.77 MEN1 (0.49) GAACYP2C9

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-101006053-A Indoles useful for treating inflammation BIOLIPOX AB (SE) 2007-07-25 CN disclosed