SCHEMBL8529520

SCHEMBL8529520

CCP(=S)(CC)CC(C)(ON=C(C(=O)O)C(=O)OC(C)(C)C)c1csc(N)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8529465 0.82 MEN1 (0.33) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL28000563 0.72
SCHEMBL9627288 0.71 GABRA5 (0.43) HTTMEN1NPC1ALDH1A1MAPT
SCHEMBL8528544 0.61 MEN1 (0.30) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL8528540 0.61 MEN1 (0.30) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL27694286 0.60 KMT2A (0.35) TSHRHPGDHTTMEN1NPC1
SCHEMBL7079216 0.59 MAPT (0.43) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL7079213 0.59 MAPT (0.43) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL10516373 0.59 MAPT (0.40) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL9477998 0.59 MAPT (0.40) MEN1NPC1ALDH1A1MAPTRAB9A

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