SCHEMBL4078063

SCHEMBL4078063

C=Cc1cccc(C=NN(CC=CC=CCN(N=Cc2cccc(C=C)c2)C(=O)O)C(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
G6PC1 P35575 3/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FAAH O00519 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
FURIN P09958 1/20 0.30
EPOR P19235 1/20 0.30
GFER P55789 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
SCHEMBL4074955 0.73 MEN1 (0.41) PTGS2LMNAMEN1MAPTKMT2A
SCHEMBL720917 0.65 G6PC1 (0.49) LMNAMEN1MAPTKMT2AG6PC1
SCHEMBL720915 0.65 G6PC1 (0.49) LMNAMEN1MAPTKMT2AG6PC1
SCHEMBL8241465 0.65 ALDH1A1 (0.48) PTGS2MAPTKMT2ATP53TDP1
Urea SCHEMBL29001189 0.65 TDP1 (0.52) PTGS2MEN1KMT2ATP53TDP1
SCHEMBL21881 0.64 TDP1 (0.67) PTGS2TP53TDP1ALDH1A1TSHR
SCHEMBL13569016 0.63 GFER (0.49) LMNAMEN1KMT2ATDP1ALDH1A1
Styrene SCHEMBL9639895 0.62 ALDH1A1 (0.78) PTGS2LMNATP53TDP1FAAH
SCHEMBL11957623 0.62 TP53 (0.48) PTGS2TP53TDP1ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL31335086 0.62 TDP1 (0.64) PTGS2MEN1MAPTKMT2ATP53

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
WO-2009155362-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed