SCHEMBL31053402

SCHEMBL31053402

N#Cc1c(-c2cccs2)nc(SCc2cccc(C(=O)O)c2)[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 15/20 1.00
CYP2C19 P33261 2/20 0.69
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
PRNP P04156 3/20 0.67
RXFP1 Q9HBX9 3/20 0.67
NPSR1 Q6W5P4 2/20 0.67
POLB P06746 2/20 0.67
USP2 O75604 1/20 0.67
PKM P14618 1/20 0.67
BLM P54132 1/20 0.67
SAE1 Q9UBE0 1/20 0.67
UBA2 Q9UBT2 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
PSMD14 O00487 1/20 0.62
CYP1A2 P05177 1/20 0.62
MAPT P10636 1/20 0.62
CYP2C9 P11712 1/20 0.62
HPGD P15428 1/20 0.62
KDM4E B2RXH2 1/20 0.61

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
SCHEMBL17550085 1.00 ACMSD (1.00) ACMSDCYP2C19MEN1KMT2APRNP
SCHEMBL26847147 0.92 ACMSD (0.85) ACMSDCYP2C19MEN1KMT2APRNP
SCHEMBL31053416 0.92 ACMSD (0.85) ACMSDCYP2C19MEN1KMT2APRNP
SCHEMBL23849892 0.92 ACMSD (0.85) ACMSDCYP2C19MEN1KMT2APRNP
SCHEMBL17548496 0.89 ACMSD (1.00) ACMSDCYP2C19MEN1KMT2APRNP
SCHEMBL31053422 0.89 ACMSD (1.00) ACMSDCYP2C19MEN1KMT2APRNP
SCHEMBL31053424 0.87 ACMSD (0.76) ACMSDCYP2C19MEN1KMT2APRNP
SCHEMBL23849818 0.87 ACMSD (0.76) ACMSDCYP2C19MEN1KMT2APRNP
SCHEMBL31053420 0.86 ACMSD (0.78) ACMSDCYP2C19MEN1KMT2APRNP
SCHEMBL23850316 0.86 ACMSD (0.78) ACMSDCYP2C19MEN1KMT2APRNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024240882-A1 HETEROARYL AND HETEROCYCLIC COMPOUNDS FOR USE IN TREATING ACUTE INFLAMMATION TES PHARMA S.R.L. (IT) 2024-11-28 WO disclosed
CN-118496217-A Inhibitors of alpha-amino-beta-carboxyhexadienoic acid semialdehyde decarboxylase TES制药有限责任公司 2024-08-16 CN disclosed