SCHEMBL8973265

SCHEMBL8973265

Clc1ccc(Cl)c(Nc2nc(Cl)nc(Nc3cc(Cl)ccc3Cl)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
RAPGEF4 Q8WZA2 1/20 0.47
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
APP P05067 1/20 0.43
C1R P00736 1/20 0.42
POLB P06746 1/20 0.42
NR1I2 O75469 1/20 0.41
AHR P35869 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL4911297 0.96 TSHR (0.61) TSHRHDAC3HDAC1HDAC2HDAC6
SCHEMBL9505944 0.81 HDAC3 (0.50) TSHRHDAC3HDAC1HDAC2HDAC6
SCHEMBL9738354 0.81 RAPGEF4 (0.53) HDAC3HDAC1HDAC2HDAC6RAPGEF4
SCHEMBL8973245 0.81 TSHR (0.61) TSHRMAPTKMT2AMEN1MAPK1
SCHEMBL8973678 0.78 RAPGEF4 (0.54) TSHRRAPGEF4MAPTKMT2AMEN1
SCHEMBL7765087 0.77 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC6RAPGEF4
SCHEMBL17220400 0.73 TSHR (0.51) TSHRMAPK1KDM4ESMN1; SMN2APP
Dyrene SCHEMBL8166670 0.72 TSHR (1.00) TSHRHDAC3HDAC1HDAC2HDAC6
Dyrene SCHEMBL1903290 0.72 TSHR (1.00) TSHRHDAC3HDAC1HDAC2HDAC6
Dyrene SCHEMBL13280 0.72 TSHR (1.00) TSHRHDAC3HDAC1HDAC2HDAC6

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
US-5561131-A INCREASING THE WOOL GROWTH BY ADMINISTERING AN ANTIPROTOZOA AGENT TO SHEEP MALLINCKRODT VETERINARY, INC. (US) 1996-10-01 US disclosed
EP-0661976-A1 DEFAUNATION METHOD MALLINCKRODT VETERINARY LIMITED (AU) 1995-07-12 EP disclosed
EP-0661976-A4 DEFAUNATION METHOD. MALLINCKRODT VETERINARY LTD (AU) 1994-07-20 EP disclosed
WO-1993002680-A1 DEFAUNATION METHOD PITMAN-MOORE AUSTRALIA LIMITED (AU) 1993-02-18 WO disclosed