SCHEMBL11053017

SCHEMBL11053017

C=CC(=O)NCNC(=O)C=C.C=CC(=O)NCNC(=O)C=C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 1.00
ALDH1A1 P00352 4/20 1.00
MAPK1 P28482 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
TGM2 P21980 6/20 0.43
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.37
FGFR4 P22455 1/20 0.35
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
F13A1 P00488 1/20 0.33
TGM1 P22735 1/20 0.33
TGM3 Q08188 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL20000 1.00 TSHR (1.00) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL10552719 1.00 TSHR (1.00) TSHRALDH1A1MAPK1TDP1ZDHHC20
Ammonia Solution, Strong SCHEMBL28281523 0.97 TSHR (0.94) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL5175864 0.97 TSHR (0.94) TSHRALDH1A1MAPK1TDP1ZDHHC20
Hydrochloric Acid SCHEMBL8359289 0.97 TSHR (0.94) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL27782335 0.97 TSHR (0.94) TSHRALDH1A1MAPK1TDP1ZDHHC20
Lithium SCHEMBL31621064 0.97 TSHR (0.94) TSHRALDH1A1MAPK1TDP1ZDHHC20
Hydrochloric Acid SCHEMBL29236445 0.94 TSHR (0.89) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL8461710 0.92 ALDH1A1 (0.84) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL13555493 0.92 TSHR (0.84) TSHRALDH1A1MAPK1TDP1ZDHHC20

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-2023102957-A1 DEVICE HEAT DISSIPATION APPARATUS, BACKLIGHT MODULE, AND DISPLAY PANEL 惠州华星光电显示有限公司 2023-06-15 WO disclosed
US-4439545-A Acrylic copolymers of N-acryloylpolymethyleneimines or N-acryloyldialkylamides, N,N'-acryloyldiaminoalcanes and N-acryloylaminoacids (or esters) their preparation and use as cation exchangers SOCIETE D "EXPANSION SCIENTIFIQUE "EXPANSIA" (FR) 1984-03-27 US disclosed