SCHEMBL9779358

SCHEMBL9779358

COC(=O)CN(CC(=O)O)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 1/20 0.35
GSTO1 P78417 1/20 0.35
POLB P06746 2/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
MIF P14174 1/20 0.34
LTA4H P09960 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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 0.87 SMN1; SMN2 (0.37) KMT2ANPC1TP53RAB9ASMN1; SMN2
SCHEMBL9327532 0.80 TDP1 (0.38) KMT2ANPC1RAB9AMEN1TDP1
Hydrochloric Acid SCHEMBL9326182 0.78 TDP1 (0.37) KMT2ANPC1RAB9AMEN1TDP1
SCHEMBL3841166 0.76 TDP1 (0.44) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9779593 0.72 PKM (0.41) KMT2ANPC1SMN1; SMN2MEN1TDP1
SCHEMBL13603867 0.72 BCHE (0.39) KMT2AMEN1CYP1A2POLBALDH1A1
SCHEMBL13603849 0.72 KMT2A (0.39) KMT2ARAB9ASMN1; SMN2MEN1TDP1
SCHEMBL4841869 0.72 MEN1 (0.52) KMT2ATP53SMN1; SMN2MEN1TDP1
SCHEMBL13603869 0.71 TDP1 (0.39) KMT2ASMN1; SMN2TDP1POLBALDH1A1
SCHEMBL6557201 0.71 CHRM2 (0.39) KMT2ANPC1RAB9AMEN1TDP1

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