SCHEMBL5505299

SCHEMBL5505299

O=S(=O)(O)c1ccc2c(c1)C=Cc1ccccc1S2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SNCA P37840 2/20 0.37
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2D6 P10635 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.34
NT5E P21589 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL5504971 0.83 LMNA (0.44) MAPTHTTNPSR1LMNACA12
SCHEMBL7360175 0.80 TSHR (0.46) TSHRSMN1; SMN2SNCAALDH1A1HSD17B10
SCHEMBL9508137 0.74 ALDH1A1 (0.45) TSHRSMN1; SMN2SNCAALDH1A1HSD17B10
SCHEMBL4742301 0.73 TRPA1 (0.50) SNCAALDH1A1HSD17B10TDP1POLB
SCHEMBL5191452 0.72 CA2 (0.41) SNCATDP1MEN1MAPTMAPK1
SCHEMBL9186453 0.72 NOX1 (0.55) TSHRSMN1; SMN2SNCAALDH1A1HSD17B10
SCHEMBL5191816 0.71 PLEC (0.46) TSHRSNCAALDH1A1TDP1POLB
SCHEMBL9185974 0.71 NOX1 (0.54) TSHRSMN1; SMN2SNCAALDH1A1HSD17B10
SCHEMBL8131523 0.70 SNCA (0.53) TSHRSMN1; SMN2SNCAALDH1A1HSD17B10
SCHEMBL11661952 0.70 BCHE (0.39) POLBTP53LMNAHDAC6GPR84

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-1812420-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS Nicholas Piramal India Limited (IN) 2007-08-01 EP claimed
WO-2006051476-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS NICHOLAS PIRAMAL INDIA LIMITED (IN) 2006-05-18 WO claimed