SCHEMBL9211477

SCHEMBL9211477

O=C1NC(=O)C(S)C(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.35
OGT O15294 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.32
RGS12 O14924 1/20 0.30
BACE1 P56817 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
SCHEMBL1362681 0.69
SCHEMBL133284 0.67 HSD17B10 (0.39) TSHRKDM4EOGTUSP2MAPT
SCHEMBL2893149 0.67 TSHR (0.39) TSHRKDM4EOGTUSP2MAPT
SCHEMBL10988745 0.67 TSHR (0.39) TSHRKDM4EOGTUSP2MAPT
Water SCHEMBL11883570 0.65 HSD17B10 (0.38) TSHRKDM4EOGTUSP2MAPT
SCHEMBL8647881 0.65 TSHR (0.38) TSHRKDM4EOGTUSP2MAPT
SCHEMBL17294184 0.65 TSHR (0.50) TSHRKDM4EOGTUSP2MAPT
SCHEMBL15013628 0.65
SCHEMBL2873513 0.64
SCHEMBL20387031 0.63 TSHR (0.36) TSHRKDM4EOGTUSP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5414085-A Barbiturate derivatives and protein and polypeptide barbiturate derivative conjugates and labels BIOSITE DIAGNOSTICS, INC. (US) 1995-05-09 US disclosed
EP-0635013-A4 NOVEL BARBITURATE DERIVATIVES AND PROTEIN AND POLYPEPTIDE BARBITURATE DERIVATIVE CONJUGATES AND LABELS. BIOSITE DIAGNOSTICS INC (US) 1995-03-22 EP disclosed
EP-0635013-A1 NOVEL BARBITURATE DERIVATIVES AND PROTEIN AND POLYPEPTIDE BARBITURATE DERIVATIVE CONJUGATES AND LABELS BIOSITE DIAGNOSTICS INC. (US) 1995-01-25 EP disclosed
WO-1993020064-A1 NOVEL BARBITURATE DERIVATIVES AND PROTEIN AND POLYPEPTIDE BARBITURATE DERIVATIVE CONJUGATES AND LABELS BIOSITE DIAGNOSTICS INCORPORATED (US) 1993-10-14 WO disclosed