SCHEMBL17020173

SCHEMBL17020173

Cc1cc(C=O)cc(C)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.42
KDM4E B2RXH2 5/20 0.42
NQO2 P16083 1/20 0.42
ALDH1A1 P00352 5/20 0.41
POLB P06746 1/20 0.39
IMPDH2 P12268 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
GPR3 P46089 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
FTO Q9C0B1 1/20 0.36
ALDH1A3 P47895 1/20 0.36
CHEK1 O14757 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL13991584 0.80 CYP1A2 (0.47) KDM4ENQO2ALDH1A1POLBL3MBTL1
SCHEMBL15504007 0.80 KDM4E (0.45) KDM4ENQO2ALDH1A1POLBL3MBTL1
SCHEMBL28769845 0.79 PTGER4 (0.41) PTGER4KDM4EALDH1A1POLBIMPDH2
SCHEMBL29765501 0.79 PTGER4 (0.41) PTGER4KDM4EALDH1A1POLBIMPDH2
SCHEMBL17020177 0.79 ALDH1A1 (0.37) ALDH1A1ALDH1A3
SCHEMBL17020175 0.79 ALDH1A1 (0.37) PTGER4ALDH1A1LMNAMAPTHTT
SCHEMBL17020174 0.79 PTGER4 (0.52) PTGER4KDM4EALDH1A1LMNAMAPT
SCHEMBL19269076 0.77 KDM4E (0.42) KDM4ENQO2ALDH1A1POLBL3MBTL1
SCHEMBL20111589 0.77 KDM4E (0.52) PTGER4KDM4ENQO2ALDH1A1POLB
SCHEMBL11065612 0.76 PTGER4 (0.52) PTGER4KDM4EALDH1A1POLBL3MBTL1

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
WO-2015121239-A1 ORGANIC MOLECULE HAVING SMALL TRIPLET-SINGLET ENERGY SPACINGS FOR EFFECTIVE DELAYED FLUORESCENCE FOR APPLICATION IN OPTOELECTRONIC DEVICES YERSIN HARTMUT (DE) 2015-08-20 WO disclosed