SCHEMBL8529465

SCHEMBL8529465

CCP(=S)(CC)CC(C)(ON=C(C(=O)O)C(=O)OC(C)(C)C)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL8529520 0.82 TSHR (0.35) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL11043855 0.69 SMN1; SMN2 (0.37) MEN1KMT2AMAPK1ALDH1A1NPC1
SCHEMBL8529459 0.69 ROCK2 (0.32)
SCHEMBL8529453 0.69 ROCK2 (0.32)
SCHEMBL10656132 0.68 KMT2A (0.36) MEN1KMT2AMAPK1ALDH1A1NPC1
SCHEMBL9462958 0.66 MAPT (0.41) MEN1KMT2AMAPK1NPC1POLB
SCHEMBL9234341 0.66 MAPT (0.41) MEN1KMT2AMAPK1NPC1POLB
SCHEMBL10743055 0.66 MAPT (0.39) MEN1KMT2AMAPK1ALDH1A1NPC1
SCHEMBL11067512 0.66 MAPT (0.39) MEN1KMT2AMAPK1ALDH1A1NPC1
SCHEMBL11067530 0.66 MAPT (0.39) MEN1KMT2AMAPK1ALDH1A1NPC1

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