SCHEMBL9779583

SCHEMBL9779583

CCOC(=O)CNC(C(N)=O)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.40
ALOX5 P09917 1/20 0.40
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PPID Q08752 1/20 0.37
POLB P06746 1/20 0.37
ESR2 Q92731 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KEAP1 Q14145 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
SCHEMBL9769954 0.88 ALOX5 (0.42) ALDH1A1SMN1; SMN2ALOX5MEN1KMT2A
SCHEMBL9779441 0.83 ALOX5 (0.39) SMN1; SMN2ALOX5NPSR1POLBMAPT
Hydrochloric Acid SCHEMBL9326175 0.79 ALOX5 (0.41) ALDH1A1PKMALOX5NPSR1POLB
SCHEMBL14143065 0.76 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2PKMALOX5MEN1
SCHEMBL6975656 0.76 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2PKMALOX5MEN1
SCHEMBL9779355 0.75 CYP2C19 (0.43) ALDH1A1SMN1; SMN2ALOX5KMT2ANPSR1
SCHEMBL11659691 0.74 ALDH1A1 (0.40) ALDH1A1PKMALOX5MEN1KMT2A
SCHEMBL4152673 0.73 TACR3 (0.40) NPSR1POLB
SCHEMBL8760984 0.72 ALOX5 (0.40) ALDH1A1PKMALOX5KMT2ANPSR1
SCHEMBL8255644 0.72 ALOX5 (0.47) ALDH1A1ALOX5NPSR1POLBL3MBTL1

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