SCHEMBL7981572

SCHEMBL7981572

COc1cc2c(=O)n(Cc3ccc([N+](=O)[O-])cc3)c3cc(OC)c(OC)cc3c2cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 3/20 0.68
SRC P12931 2/20 0.68
PRKACA P17612 1/20 0.68
PRKACG P22612 1/20 0.68
PRKACB P22694 1/20 0.68
TP53 P04637 1/20 0.59
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
P2RX4 Q99571 1/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.45
PIK3R1 P27986 1/20 0.45
PIK3CA P42336 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL7981786 0.86 SRC (0.56) NOX4SRCPRKACAPRKACGPRKACB
SCHEMBL6679443 0.83 TP53 (0.51) NOX4SRCPRKACAPRKACGPRKACB
SCHEMBL7970086 0.82 SRC (0.63) SRCPRKACAPRKACGPRKACBTP53
SCHEMBL7981707 0.81 SRC (1.00) NOX4SRCPRKACAPRKACGPRKACB
SCHEMBL7983884 0.80 SRC (0.67) SRCPRKACAPRKACGPRKACBKMT2A
SCHEMBL7970466 0.79 SRC (0.69) NOX4SRCPRKACAPRKACGPRKACB
SCHEMBL11445232 0.75 KMT2A (0.53) NOX4SRCPRKACAPRKACGPRKACB
SCHEMBL7980611 0.72 SRC (0.60) SRCKMT2AMEN1KDM4EALDH1A1
SCHEMBL29428154 0.71 KDM4E (0.56) TP53KMT2AMEN1KDM4EALDH1A1
SCHEMBL28694312 0.71 KDM4E (0.56) TP53KMT2AMEN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277876-B1 Matrix metalloproteinase inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2001-08-21 US disclosed
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