SCHEMBL1983017

SCHEMBL1983017

O=C(CS)NCCCc1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
CNR1 P21554 1/20 0.51
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
P2RX7 Q99572 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
HDAC8 Q9BY41 1/20 0.47
ACLY P53396 2/20 0.47
HTT P42858 1/20 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
SCHEMBL1143378 0.81 ALDH1A1 (0.62) ALDH1A1P2RX7TDP1
SCHEMBL4038474 0.78 HPGD (0.69) HPGDCNR1ALDH1A1KDM4EMEN1
SCHEMBL27454018 0.77 ACLY (0.59) HPGDCNR1PLAAT3PLAAT5PLAAT2
SCHEMBL5099387 0.73 CNR1 (0.48) HPGDCNR1ALDH1A1P2RX7MEN1
SCHEMBL1808181 0.73 IDO1 (0.57) CNR1ACLY
SCHEMBL3529974 0.73 HPGD (0.67) HPGDCNR1ALDH1A1KDM4EMEN1
SCHEMBL6337215 0.73 GPR84 (0.48) HPGDCNR1ALDH1A1MEN1KMT2A
SCHEMBL9083835 0.73 ACLY (0.51) HPGDCNR1PLAAT3PLAAT5PLAAT2
SCHEMBL4778926 0.73 ACLY (0.58) PLAAT3PLAAT5PLAAT2PLAAT4ACLY
SCHEMBL7934893 0.72 P2RX7 (0.53) CNR1ALDH1A1P2RX7MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2337778-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT Absolute Science, INC. (US) 2011-06-29 EP disclosed
EP-2190293-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES Absolute Science, INC. (US) 2010-06-02 EP disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 WO disclosed