SCHEMBL3633014

SCHEMBL3633014

CCOOC(=S)c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
HPGD P15428 4/20 0.36
POLB P06746 2/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 2/20 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
SCHEMBL6553295 0.82 TSHR (0.50) TSHRALDH1A1KMT2AGAAMEN1
Fluoride SCHEMBL28135103 0.81 TSHR (0.48) TSHRALDH1A1KMT2AGAAMEN1
SCHEMBL15768394 0.78 TSHR (0.55) TSHRALDH1A1KMT2AGAAMEN1
SCHEMBL29716616 0.74 ALDH1A1 (0.45) TSHRMAOAMAOBALDH1A1KMT2A
SCHEMBL8701488 0.74 ALDH1A1 (0.45) TSHRMAOAMAOBALDH1A1KMT2A
SCHEMBL11781549 0.72 MAOA (0.39) TSHRMAOAMAOBALDH1A1KMT2A
Fluoride SCHEMBL28754865 0.72 ALDH1A1 (0.44) MAOAMAOBALDH1A1KMT2AGAA
SCHEMBL12813963 0.72 TSHR (0.38) TSHRALDH1A1KMT2AGAAMEN1
SCHEMBL2116817 0.70 TSHR (0.54) TSHRMAOAMAOBALDH1A1KMT2A
SCHEMBL8256708 0.68 TSHR (0.47) TSHRMAOAMAOBALDH1A1GAA

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
EP-2142925-A1 ELIMINATION OF INTERFERENCE IN IMMUNOASSAYS CAUSED BY ANTI-CARBOHYDRATE ANTIBODIES Wyeth a Corporation of the State of Delaware (US) 2010-01-13 EP disclosed
WO-2008137885-A1 ELIMINATION OF INTERFERENCE IN IMMUNOASSAYS CAUSED BY ANTI-CARBOHYDRATE ANTIBODIES WYETH (US) 2008-11-13 WO disclosed