SCHEMBL11430833

SCHEMBL11430833

Cc1cc(O)n(Cc2ccc([N+](=O)[O-])cc2)c(=O)c1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.53
PRKACA P17612 1/20 0.53
PRKACG P22612 1/20 0.53
PRKACB P22694 1/20 0.53
NOX4 Q9NPH5 1/20 0.53
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
P2RX4 Q99571 1/20 0.46
POLB P06746 2/20 0.45
AR P10275 1/20 0.44
DHFR P00374 1/20 0.44
TYMS P04818 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL11423863 0.86 KDM4E (0.53) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL11421478 0.86 SRC (0.53) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL11420246 0.84 SRC (0.48) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL11441157 0.83 MAPT (0.46) KMT2AMEN1L3MBTL1P2RX4POLB
SCHEMBL11421213 0.73 AR (0.50) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL11607905 0.73 AR (0.53) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL11428172 0.71 NOX4 (0.48) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL4483468 0.70 L3MBTL1 (0.60) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL5801672 0.69 L3MBTL1 (0.59) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL7981707 0.69 SRC (1.00) SRCPRKACAPRKACGPRKACBNOX4

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
US-4225491-A REACTIVE DYES FOR COTTON ICI UNITED STATES, INC. (US) 1980-09-30 US disclosed