SCHEMBL8528950

SCHEMBL8528950

CCP(=S)(CC)C(=NOCc1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 6/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 5/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 3/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
PDE5A O76074 1/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 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
SCHEMBL8526155 0.91 LMNA (0.36) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL9813156 0.79 LMNA (0.42) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL9813145 0.79 LMNA (0.42) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL8526129 0.77 GABRA5 (0.43) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL8768623 0.77 GABRA5 (0.43) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL3997592 0.75 NPC1 (0.42) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL4001147 0.75 NPC1 (0.42) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL27815401 0.74 NPC1 (0.51) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL11092959 0.73 NPC1 (0.40) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL2786880 0.72 TP53 (0.59) NPC1RAB9ASMN1; SMN2LMNAMAPT

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
EP-0620228-B1 Novel reactive thiophosphate derivatives of thia(dia)zole acetic acid and process for preparing the same LUCKY LTD (KR) 1998-03-11 EP claimed