SCHEMBL17020175

SCHEMBL17020175

Cc1cc(C=O)cc(C)c1-n1c2ccc(Br)cc2c2cc(Br)ccc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.36
CYP2A6 P11509 2/20 0.34
ALDH1A3 P47895 2/20 0.33
PTGER4 P35408 2/20 0.33
DNM1 Q05193 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK8 P45983 1/20 0.32
TSPO P30536 1/20 0.32
PTPN1 P18031 1/20 0.32
SRC P12931 1/20 0.32
ERN1 O75460 1/20 0.32

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
SCHEMBL17020177 0.88 ALDH1A1 (0.37) ALDH1A1CYP2A6ALDH1A3SRCERN1
SCHEMBL17020174 0.81 PTGER4 (0.52) ALDH1A1MAPTCYP2A6ALDH1A3PTGER4
SCHEMBL17020173 0.79 PTGER4 (0.42) ALDH1A1MAPTALDH1A3PTGER4LMNA
SCHEMBL2951637 0.78 MAPT (0.41) ALDH1A1MAPTCYP2A6DNM1SMN1; SMN2
SCHEMBL17020189 0.77 MAPT (0.39) ALDH1A1MAPTDNM1SMN1; SMN2LMNA
SCHEMBL13158817 0.76 ALDH1A1 (0.40) ALDH1A1MAPTCYP2A6PTGER4SMN1; SMN2
SCHEMBL29392880 0.76 ALDH1A1 (0.40) ALDH1A1MAPTCYP2A6PTGER4SMN1; SMN2
SCHEMBL15946330 0.75 TSPO (0.43) ALDH1A1MAPTCYP2A6PTGER4DNM1
SCHEMBL24753547 0.75 CYP2A6 (0.42) ALDH1A1MAPTCYP2A6PTGER4DNM1
SCHEMBL17515011 0.73 ALDH1A1 (0.42) ALDH1A1MAPTCYP2A6ALDH1A3PTGER4

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