SCHEMBL15849622

SCHEMBL15849622

CN(CS)C(=O)c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
PTPN1 P18031 1/20 0.49
PLK1 P53350 1/20 0.49
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 4/20 0.46
POLB P06746 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GMNN O75496 2/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
BLM P54132 2/20 0.46
PMP22 Q01453 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CMKLR1 Q99788 2/20 0.46
TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL18652132 0.85 NR4A1 (0.52) NR4A1NR4A2NR4A3PTPN1PLK1
SCHEMBL31060098 0.82 NR4A1 (0.53) NR4A1NR4A2NR4A3PTPN1PLK1
SCHEMBL3792155 0.82 NR4A1 (0.53) NR4A1NR4A2NR4A3PTPN1PLK1
SCHEMBL18650130 0.81 NR4A1 (0.47) NR4A1NR4A2NR4A3PTPN1PLK1
SCHEMBL10407111 0.80 NR4A1 (0.59) NR4A1NR4A2NR4A3PTPN1PLK1
SCHEMBL3624003 0.76 OPRM1 (0.56) NR4A1NR4A2NR4A3PTPN1PLK1
SCHEMBL27794823 0.75 CDC25B (0.50) NR4A1NR4A2NR4A3PTPN1PLK1
SCHEMBL21243055 0.75 CDC25B (0.54) NR4A1NR4A2NR4A3PTPN1PLK1
SCHEMBL10995822 0.75 NR4A1 (0.57) NR4A1NR4A2NR4A3PTPN1PLK1
SCHEMBL28616637 0.75 NR1I2 (0.54) NR4A1NR4A2NR4A3PTPN1PLK1

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
US-8765667-B2 HCV protease inhibitors EISSENSTAT MICHAEL (US) 2014-07-01 US disclosed