SCHEMBL7995967

SCHEMBL7995967

Oc1ccc(-c2ccc(-c3cnco3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.62
LMNA P02545 2/20 0.62
NOTUM Q6P988 1/20 0.62
GAA P10253 1/20 0.62
PTK2 Q05397 1/20 0.61
KEAP1 Q14145 1/20 0.56
LTA4H P09960 1/20 0.51
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP3A4 P08684 1/20 0.49
NPC1 O15118 3/20 0.47
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
MAP4K4 O95819 1/20 0.46

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
SCHEMBL4263728 0.98 PKM (0.64) PKMLMNANOTUMGAAPTK2
SCHEMBL10768177 0.87 PKM (0.78) PKMLMNANOTUMGAAPTK2
SCHEMBL15013310 0.81 LMNA (0.64) PKMLMNANOTUMGAAPTK2
SCHEMBL19219054 0.81 PTK2 (0.91) PKMLMNANOTUMGAAPTK2
SCHEMBL6608660 0.79 GAA (0.96) PKMLMNANOTUMGAAPTK2
SCHEMBL6606173 0.78 PKM (0.60) PKMLMNANOTUMGAAPTK2
SCHEMBL16159857 0.78 CYP11B1 (0.73) PKMLMNANOTUMGAAPTK2
SCHEMBL472353 0.77 NOTUM (1.00) PKMLMNANOTUMGAAPTK2
SCHEMBL3299412 0.77 PKM (0.64) PKMLMNANOTUMGAAPTK2
SCHEMBL3635051 0.77 PKM (0.64) PKMLMNANOTUMGAAPTK2

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
WO-2000019994-A9 ESTROGEN RECEPTOR LIGANDS UNIV ILLINOIS (US) 2000-08-31 WO disclosed
WO-2000019994-A1 ESTROGEN RECEPTOR LIGANDS BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2000-04-13 WO disclosed