SCHEMBL7803256

SCHEMBL7803256

O=C(N=S)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.59
NR4A2 P43354 1/20 0.59
NR4A3 Q92570 1/20 0.59
MMP3 P08254 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
PTPN1 P18031 1/20 0.52
CDC25B P30305 1/20 0.52
PLK1 P53350 1/20 0.52
DEGS1 O15121 1/20 0.49
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PTK2B Q14289 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 4/20 0.45
POLB P06746 4/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.45
CNR2 P34972 2/20 0.45
MEN1 O00255 2/20 0.45

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
SCHEMBL15385197 0.82 NR4A1 (0.61) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL732404 0.80 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL6379741 0.80 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL30719419 0.80 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL29563425 0.80 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL11387114 0.79 NR4A1 (0.53) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL3781506 0.78 NR4A1 (0.62) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL9155350 0.77 NR4A1 (0.55) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL9395892 0.77 NR4A1 (0.60) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL29912717 0.77 NR4A1 (0.55) NR4A1NR4A2NR4A3MMP3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1101754-A2 Method for the reduction of sulphur-containing, nitrification-inhibiting compounds DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2001-05-23 EP disclosed