SCHEMBL9779593

SCHEMBL9779593

CCOC(=O)CN(CC(N)=O)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
ALDH1A1 P00352 8/20 0.40
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
KEAP1 Q14145 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
TSHR P16473 3/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
LMNA P02545 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ESR2 Q92731 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL9769958 0.86 SMN1; SMN2 (0.37) ALDH1A1MAPTGAASMN1; SMN2TSHR
SCHEMBL9327532 0.79 TDP1 (0.38) ALDH1A1POLBMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL9326182 0.78 TDP1 (0.37) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL9779358 0.72 KMT2A (0.38) ALDH1A1MAPTGAASMN1; SMN2POLB
SCHEMBL8760992 0.72 SLC6A2 (0.39) PKMALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL1556688 0.72 ALDH1A1 (0.40) PKMALDH1A1MAPTGAAKEAP1
SCHEMBL8388974 0.70 POLB (0.37) ALDH1A1MAPTGAASMN1; SMN2TSHR
SCHEMBL18055614 0.69 TDP1 (0.53) ALDH1A1MAPTGAASMN1; SMN2TSHR
SCHEMBL21788947 0.68 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL10666068 0.68 KMT2A (0.42) ALDH1A1MAPTGAASMN1; SMN2TSHR

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-5015659-A Cognition activators to slow aging of the brain CASSELLA AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed