SCHEMBL22690753

SCHEMBL22690753

CC(C)(C)[C@@H]1CCc2nc3sc(C(=O)O)nc3cc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
TP53 P04637 3/20 0.39
POLB P06746 2/20 0.39
RXFP1 Q9HBX9 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
KDM4E B2RXH2 3/20 0.36
RORC P51449 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35

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
SCHEMBL22690756 1.00 MAPT (0.41) MAPTTP53POLBRXFP1NPC1
SCHEMBL29926217 1.00 MAPT (0.41) MAPTTP53POLBRXFP1NPC1
SCHEMBL22691455 1.00 MAPT (0.41) MAPTTP53POLBRXFP1NPC1
Hydrochloric Acid SCHEMBL5996085 0.99 MAPT (0.41) MAPTTP53POLBRXFP1NPC1
SCHEMBL4704509 0.91 MAPT (0.39) MAPTTP53POLBRXFP1NPC1
SCHEMBL5996075 0.89 TP53 (0.41) MAPTTP53POLBRXFP1NPC1
SCHEMBL4704261 0.89 MAPT (0.39) MAPTTP53POLBRXFP1NPC1
SCHEMBL4705292 0.85 TP53 (0.42) MAPTTP53POLBRXFP1NPC1
SCHEMBL22699236 0.85 TP53 (0.42) MAPTTP53POLBRXFP1NPC1
SCHEMBL22699209 0.85 MAPT (0.40) MAPTTP53POLBRXFP1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3972590-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES Merck Sharp & Dohme Corp. (US) 2022-03-30 EP disclosed
WO-2020236688-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES MERCK SHARP & DOHME CORP. (US) 2020-11-26 WO disclosed
WO-2020236688-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES MERCK SHARP & DOHME CORP. (US) 2020-11-26 WO disclosed