SCHEMBL28028333

SCHEMBL28028333

O=[N+]([O-])c1cnc2ccc(S)cc2c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
CTSB P07858 1/20 0.40
GAA P10253 1/20 0.40
ERN1 O75460 1/20 0.38
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
GPR35 Q9HC97 1/20 0.37
TDP1 Q9NUW8 4/20 0.37
PKM P14618 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 2/20 0.37

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
SCHEMBL28027642 0.82 MEN1 (0.38) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL358629 0.82 MAPT (0.45) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2143638 0.82 MEN1 (0.40) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL1025814 0.82 MAPT (0.48) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL404980 0.82 TSHR (0.45) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2246946 0.82 TDP1 (0.45) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2246907 0.78 LMNA (0.45) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2246090 0.78 TP53 (0.41) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL18606313 0.78 VCAM1 (0.47) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2248311 0.78 CRHBP (0.53) MEN1KMT2AALDH1A1KDM4EMAPT

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-102574845-B 1H-imidazo [4,5-c] qualone derivative NOVARTIS AG (CH) 2015-09-02 CN disclosed