SCHEMBL12840889

SCHEMBL12840889

N#Cc1c(F)cc(-c2c(F)cc(-c3ncc(O)cn3)cc2F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.38
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
EGLN2 Q96KS0 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
XDH P47989 2/20 0.33
S1PR3 Q99500 4/20 0.32
S1PR1 P21453 2/20 0.32
AR P10275 1/20 0.31
CHEK1 O14757 1/20 0.31
CYP11B2 P19099 2/20 0.30
CYP11B1 P15538 1/20 0.30
S1PR2 O95136 1/20 0.30
S1PR4 O95977 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL17053356 0.84 TRPV4 (0.38) TRPV4EGLN2PDE4APDE4BPDE4C
SCHEMBL19557560 0.82 CLK4 (0.42) TRPV4ESR1ESR2EGLN2PDE4A
SCHEMBL30332317 0.81 ESR1 (0.51) TRPV4ESR1ESR2EGLN2PDE4A
SCHEMBL17244815 0.81 TRPV4 (0.35) TRPV4EGLN2PDE4APDE4BPDE4C
SCHEMBL15829138 0.80 TRPV4 (0.37) TRPV4EGLN2PDE4APDE4BPDE4C
SCHEMBL17244817 0.79 HSD17B10 (0.36) TRPV4EGLN2PDE4APDE4BPDE4C
SCHEMBL19557546 0.78 EGLN2 (0.45) TRPV4EGLN2CYP11B2CYP11B1
SCHEMBL9511667 0.77 TRPV4 (0.42) TRPV4EGLN2S1PR3S1PR1CYP11B2
SCHEMBL17244816 0.77 TRPV4 (0.34) TRPV4EGLN2CYP11B2CYP11B1
SCHEMBL15829133 0.76 RARB (0.38) TRPV4EGLN2CYP11B2CYP11B1MEN1

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-20110075074-A1 Liquid Crystals Composition and Liquid Crystal Display with Patterned Electrodes UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-03-31 US disclosed