SCHEMBL9779596

SCHEMBL9779596

CCOC(=O)CNNC(=O)Cc1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ESR2 Q92731 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
MAPT P10636 2/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
CASP6 P55212 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL9769962 0.87 KMT2A (0.56) POLBKMT2AMEN1L3MBTL1NPC1
SCHEMBL2398774 0.86 ALDH1A1 (0.59) POLBKMT2AMEN1L3MBTL1ESR2
SCHEMBL358221 0.81 POLB (0.60) POLBKMT2AMEN1L3MBTL1ESR2
SCHEMBL6317907 0.79 POLB (0.55) POLBKMT2AMEN1L3MBTL1ESR2
Hydrochloric Acid SCHEMBL9326187 0.79 ALDH1A1 (0.55) POLBKMT2AMEN1L3MBTL1NPC1
Alcohol SCHEMBL29045225 0.78 POLB (0.57) POLBKMT2AMEN1L3MBTL1ESR2
SCHEMBL30078575 0.77 PPID (0.55) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL21789275 0.77 CYP2D6 (0.60) POLBKMT2AMEN1L3MBTL1ESR2
SCHEMBL27390967 0.77 RAB9A (0.57) POLBKMT2AMEN1L3MBTL1ESR2
SCHEMBL28214977 0.75 MEN1 (0.54) POLBKMT2AMEN1L3MBTL1ESR2

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