SCHEMBL9367307

SCHEMBL9367307

COc1cc(C#N)c(-c2cc(OC)c(OC)cc2OC)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
USP2 O75604 1/20 0.44
TNFSF11 O14788 1/20 0.41
USP8 P40818 1/20 0.41
USP7 Q93009 1/20 0.41
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
AR P10275 6/20 0.39
PGR P06401 1/20 0.39
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
HIF1A Q16665 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 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
SCHEMBL1343373 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL4258349 0.82 ALDH1A1 (0.59) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL18040253 0.79 TNFSF11 (0.56) ALDH1A1KDM4ETNFSF11MAOAHTT
SCHEMBL29788060 0.77 MAOA (0.57) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL2761994 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL14635823 0.76 MAOA (0.42) ALDH1A1KDM4EUSP2USP8USP7
SCHEMBL10541124 0.74 AR (0.47) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL7980232 0.72 KDM4E (0.46) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL82833 0.72 ALDH1A1 (0.55) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL10537256 0.72 TRPV4 (0.47) ALDH1A1KDM4EUSP2IMPDH2IMPDH1

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-0586608-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1994-03-16 EP disclosed
WO-1992021660-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER, INC. (US) 1992-12-10 WO disclosed