SCHEMBL7467933

SCHEMBL7467933

Cc1cc(C)cc(Cn2c3ccc[c]c3c3c(C(N)=O)cccc32)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.36
MAPK8 P45983 2/20 0.36
PLA2G2A P14555 7/20 0.36
ADRA1D P25100 1/20 0.35
F10 P00742 4/20 0.35
F2 P00734 2/20 0.35
IDH1 O75874 1/20 0.35
PARP1 P09874 1/20 0.34
KLKB1 P03952 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KLK1 P06870 1/20 0.34

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
SCHEMBL7050803 0.92 ADRA1D (0.44) RPS6KB1MAPK8PLA2G2AADRA1DF10
SCHEMBL27508047 0.89 P2RX4 (0.42) PLA2G2APARP1MEN1ALDH1A1KMT2A
SCHEMBL27505227 0.89 RPS6KB1 (0.35) RPS6KB1MAPK8PLA2G2AADRA1DF10
SCHEMBL27507597 0.89 MEN1 (0.39) PLA2G2AF10PARP1MEN1ALDH1A1
SCHEMBL27563118 0.86 RPS6KB1 (0.39) RPS6KB1PLA2G2AADRA1DF10F2
SCHEMBL27506446 0.86 PLA2G2A (0.40) MAPK8PLA2G2AADRA1DF10F2
SCHEMBL27530595 0.86 GPR52 (0.37) RPS6KB1MAPK8PLA2G2AF10PARP1
SCHEMBL27531172 0.86 RPS6KB1 (0.34) RPS6KB1MAPK8PLA2G2AADRA1DF10
SCHEMBL6612458 0.85 PLA2G2A (0.44) PLA2G2AADRA1DPARP1
SCHEMBL7946053 0.85 SIRT2 (0.39) RPS6KB1MAPK8ADRA1DPARP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259260-A1 COMBINATION THERAPY FOR THE TREATMENT OF INFLAMMATORY AND RESPIRATORY DISEASES ELI LILLY AND COMPANY (US) 2002-11-27 EP disclosed
WO-2001055108-A2 USE OF SPL A2 INHIBITORS FOR THE TREATMENT OF INFLAMMATION ELI LILLY AND COMPANY (US) 2001-08-02 WO disclosed
WO-2001049323-A1 COMBINATION THERAPY FOR THE TREATMENT OF INFLAMMATORY AND RESPIRATORY DISEASES ELI LILLY AND COMPANY (US) 2001-07-12 WO disclosed
CN-1240210-A Substituted tricyclic compound LILLY CO ELI (US) 2000-01-05 CN disclosed