SCHEMBL28069237

SCHEMBL28069237

NC(=O)C=CCC=CC(N)=O.NC(=O)C=CCC=CC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
BLM P54132 3/20 0.41
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
GABRR1 P24046 2/20 0.41
GABRR2 P28476 2/20 0.41
GABRR3 A8MPY1 1/20 0.41
APEX1 P27695 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 5/20 0.37
FGFR4 P22455 1/20 0.37
TP53 P04637 2/20 0.33
CNR1 P21554 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 3/20 0.32
PPARA Q07869 1/20 0.32
SOAT1 P35610 1/20 0.32
OR51E2 Q9H255 1/20 0.31

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
SCHEMBL30262989 1.00 TSHR (0.41) TSHRBLMLMNATDP1GABRR1
SCHEMBL33774 1.00 TSHR (0.41) TSHRBLMLMNATDP1GABRR1
SCHEMBL28057882 0.97 TSHR (0.39) TSHRBLMLMNATDP1GABRR1
Ammonia Solution, Strong SCHEMBL27750230 0.97 TSHR (0.39) TSHRBLMLMNATDP1GABRR1
SCHEMBL28328042 0.97 TSHR (0.39) TSHRBLMLMNATDP1GABRR1
Ammonia Solution, Strong SCHEMBL27914658 0.97 TSHR (0.39) TSHRBLMLMNATDP1GABRR1
Methylamine SCHEMBL7738775 0.94 TSHR (0.38) TSHRBLMLMNATDP1GABRR1
SCHEMBL11226850 0.91 GABRR1 (0.36) TSHRBLMLMNATDP1GABRR1
SCHEMBL8461708 0.91 PPARA (0.38) TSHRBLMLMNATDP1GABRR1
Formic Acid SCHEMBL11523486 0.91 GABRR1 (0.36) TSHRBLMLMNATDP1GABRR1

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
CN-103890579-B Tagged polymers, water treatment composition and the using method in aqueous system thereof BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 2016-05-11 CN disclosed