SCHEMBL9769958

SCHEMBL9769958

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 3/20 0.36
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 2/20 0.35
MEN1 O00255 1/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 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
SCHEMBL9779358 0.87 KMT2A (0.38) SMN1; SMN2NPC1RAB9ATP53POLB
SCHEMBL9779593 0.86 PKM (0.41) SMN1; SMN2NPC1POLBKMT2AMEN1
SCHEMBL9327532 0.81 TDP1 (0.38) NPC1RAB9APOLBKMT2AMEN1
Hydrochloric Acid SCHEMBL9326182 0.80 TDP1 (0.37) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL8760992 0.75 SLC6A2 (0.39) SMN1; SMN2NPC1RAB9APOLBKMT2A
SCHEMBL8388974 0.69 POLB (0.37) SMN1; SMN2NPC1RAB9APOLBKMT2A
SCHEMBL7563803 0.67 TDP1 (0.47) SMN1; SMN2POLBKMT2AALDH1A1TSHR
SCHEMBL11057975 0.66 TSHR (0.43) SMN1; SMN2NPC1RAB9ATP53KMT2A
SCHEMBL9850025 0.65 ALOX5 (0.46) SMN1; SMN2NPC1RAB9APOLBKMT2A
SCHEMBL8627738 0.65 POLB (0.46) NPC1RAB9APOLBKMT2AMEN1

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-4987134-A DISORDERS OF BRAIN FUNCTIONS CASSELLA AKTIENGESELLSCHAFT (DE) 1991-01-22 US disclosed