SCHEMBL24138232

SCHEMBL24138232

C=CC(=O)NCCNC(=O)NCCO

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
TGM2 P21980 3/20 0.35
EPHX2 P34913 1/20 0.35
GAA P10253 1/20 0.34
EPHX1 P07099 4/20 0.31
CNR2 P34972 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
SCHEMBL16384912 0.91 TSHR (0.59) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL27729246 0.91 ALDH1A1 (0.59) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL14966 0.91
SCHEMBL28153889 0.89 ALDH1A1 (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL28446965 0.89
Ammonia Solution, Strong SCHEMBL27913409 0.89
Ethylene Glycol SCHEMBL28247245 0.89 ALDH1A1 (0.56) TSHRALDH1A1MAPK1TDP1ZDHHC20
Hydrochloric Acid SCHEMBL28790325 0.89
SCHEMBL3058219 0.89
Hydrochloric Acid SCHEMBL29838399 0.86 ALDH1A1 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021263039-A1 AMPK ACTIVATORS KALLYOPE, INC. (US) 2021-12-30 WO disclosed