SCHEMBL3698514

SCHEMBL3698514

CCNc1ccc(-c2ccccc2)c(C)c1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
IDO1 P14902 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
GFER P55789 1/20 0.39
PLEC Q15149 1/20 0.39
BCAT2 O15382 2/20 0.39
PLA2G1B P04054 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL3704897 0.89 IDO1 (0.42) IDO1ALDH1A1HPGDKDM4EGAA
SCHEMBL3708760 0.87 KDM4E (0.47) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL3714028 0.86 ALDH1A1 (0.46) MKNK2IDO1ALDH1A1HPGDKDM4E
SCHEMBL3135452 0.77 BCAT2 (0.47) ALDH1A1HPGDKDM4EGAAHTT
SCHEMBL3701694 0.75 BCAT2 (0.46) ALDH1A1HPGDGAAMAPTBCAT2
Hydrochloric Acid SCHEMBL29287828 0.75 CA1 (0.47) ALDH1A1HPGDKDM4EGAAHTT
Hydrochloric Acid SCHEMBL29287793 0.75 CA1 (0.47) ALDH1A1HPGDKDM4EGAAHTT
SCHEMBL28568956 0.74 HSP90AA1 (0.46) PDCD1CD274
SCHEMBL28568958 0.74 HSP90AA1 (0.46) PDCD1CD274
SCHEMBL5264765 0.72 ALDH1A1 (0.41) MKNK1MKNK2ALDH1A1HPGDKDM4E

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-2197835-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS Prosidion Limited (GB) 2010-06-23 EP disclosed
WO-2009030962-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2009-03-12 WO disclosed