SCHEMBL6967673

SCHEMBL6967673

CN(OC(=O)Sc1ccccc1)C([O])=S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 1/20 0.35
MGLL Q99685 3/20 0.33
FAAH O00519 1/20 0.33
PHGDH O43175 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 3/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
FFAR1 O14842 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL6966738 0.86 HPGD (0.34) MGLLALDH1A1HPGDMAPTKMT2A
SCHEMBL6966721 0.81 HPGD (0.33) MGLLALDH1A1HPGDMAPTKMT2A
SCHEMBL6955110 0.77 HPGD (0.33) HSP90AA1HSP90AB1MGLLFAAHPHGDH
SCHEMBL13213809 0.72 ALDH1A1 (0.44) HSP90AA1HSP90AB1MGLLFAAHPHGDH
SCHEMBL10144329 0.70 TSHR (0.46) MGLLALDH1A1HPGDMAPTKMT2A
SCHEMBL6971307 0.70
SCHEMBL12657170 0.70 ELANE (0.39) HSP90AA1HSP90AB1MGLLFAAHPHGDH
SCHEMBL6683261 0.69 HPGD (0.46) MGLLALDH1A1HPGDMAPTKMT2A
SCHEMBL6827887 0.69 HPGD (0.37) MGLLALDH1A1HPGDMAPTKMT2A
Fluoride SCHEMBL27784131 0.69 TSHR (0.45) MGLLALDH1A1HPGDMAPTKMT2A

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed