SCHEMBL7981786

SCHEMBL7981786

COc1cc2c3ccc(OC)c(OC)c3c(=O)n(Cc3ccc([N+](=O)[O-])cc3)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.56
NOX4 Q9NPH5 2/20 0.51
PRKACA P17612 1/20 0.51
PRKACG P22612 1/20 0.51
PRKACB P22694 1/20 0.51
TP53 P04637 1/20 0.51
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
P2RX4 Q99571 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PDE5A O76074 1/20 0.41
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL7981572 0.86 NOX4 (0.68) SRCNOX4PRKACAPRKACGPRKACB
SCHEMBL7980591 0.85 TSHR (0.52) SRCTP53KMT2AMEN1HTT
SCHEMBL7980495 0.83 SRC (0.49) SRCPRKACAPRKACGPRKACBKMT2A
SCHEMBL7987028 0.82 SRC (0.57) SRCPRKACAPRKACGPRKACBTP53
SCHEMBL7981431 0.78 SRC (0.48) SRCTP53KMT2AMEN1HTT
SCHEMBL6679443 0.77 TP53 (0.51) SRCNOX4PRKACAPRKACGPRKACB
SCHEMBL6679445 0.73 KMT2A (0.40) SRCNOX4PRKACAPRKACGPRKACB
SCHEMBL7987368 0.72 SRC (1.00) SRCNOX4PRKACAPRKACGPRKACB
SCHEMBL7987031 0.70 NOX4 (0.54) SRCNOX4PRKACAPRKACGPRKACB
SCHEMBL11445232 0.69 KMT2A (0.53) SRCNOX4PRKACAPRKACGPRKACB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194439-B1 ANTICANCER AGENT PFIZER INC. 2001-02-27 US disclosed
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