SCHEMBL28033804

SCHEMBL28033804

CCOC(=O)c1cc(C(=O)Oc2ccccc2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.50
KMT2A Q03164 4/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46

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
SCHEMBL69530 0.87 MAPT (0.60) MAPTSMN1; SMN2ALDH1A1TSHRKMT2A
SCHEMBL29466587 0.85 JMJD6 (0.57) SMN1; SMN2KMT2ALMNAGABRPGABRD
SCHEMBL930636 0.85 JMJD6 (0.57) SMN1; SMN2KMT2ALMNAGABRPGABRD
SCHEMBL1920448 0.83 FTO (0.61) MAPTALDH1A1GABRPGABRDGABRA1
SCHEMBL23327392 0.81 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL29930605 0.81 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL16578099 0.80 KDM4E (0.61) MAPTSMN1; SMN2ALDH1A1KMT2AJMJD6
SCHEMBL9297593 0.80 CYP1A2 (0.49) MAPTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL8126380 0.79 CYP1A2 (0.51) MAPTSMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL8950955 0.79 MMP2 (0.48) MAPTSMN1; SMN2ALDH1A1KMT2ALMNA

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-104981458-A Inhibitors of histone demethylases EPITHERAPEUTICS APS 2015-10-14 CN disclosed