SCHEMBL28907950

SCHEMBL28907950

CSCC[C@H](OC(N)=O)C(=O)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
CASP3 P42574 1/20 0.52
RAB9A P51151 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
MAPT P10636 6/20 0.51
MRE11 P49959 2/20 0.49
HDAC6 Q9UBN7 2/20 0.48
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ELOVL1 Q9BW60 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL28659457 1.00 NPC1 (0.52) NPC1CASP3RAB9ASENP7MAPT
SCHEMBL28939577 0.88 MRE11 (0.51) NPC1CASP3RAB9ASENP7MAPT
SCHEMBL28939576 0.88 MRE11 (0.51) NPC1CASP3RAB9ASENP7MAPT
SCHEMBL28929644 0.86 WNT3A (0.51) NPC1RAB9AMAPTMRE11KMT2A
SCHEMBL21224560 0.84 HDAC6 (0.63) NPC1CASP3RAB9ASENP7MAPT
SCHEMBL21224715 0.84 HDAC6 (0.63) NPC1CASP3RAB9ASENP7MAPT
SCHEMBL22305385 0.83 MAPT (0.54) NPC1CASP3RAB9ASENP7MAPT
SCHEMBL28521855 0.80 MAPT (0.71) NPC1CASP3RAB9ASENP7MAPT
SCHEMBL28521858 0.80 MAPT (0.71) NPC1CASP3RAB9ASENP7MAPT
SCHEMBL22970146 0.80 HDAC6 (0.67) NPC1CASP3RAB9ASENP7MAPT

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
CN-112153984-A Compound and use thereof 福宏治疗公司 2020-12-29 CN disclosed