SCHEMBL8595657

SCHEMBL8595657

COC(=O)c1sccc1-n1c(Cl)nn(C)c1=O.O=C(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 6/20 0.37
MEN1 O00255 4/20 0.37
ALDH1A1 P00352 1/20 0.36
CCR9 P51686 1/20 0.36
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 2/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CDC25B P30305 1/20 0.33

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
SCHEMBL8097877 0.91 HTT (0.47) HTTMAPTLMNAKMT2AMEN1
SCHEMBL8597627 0.78
SCHEMBL8106915 0.77 HTT (0.50) HTTMAPTLMNAKMT2AMEN1
SCHEMBL8481561 0.69 MYC (0.56) LMNAKMT2AMEN1ALDH1A1POLB
SCHEMBL8104540 0.68 ALDH1A1 (0.33) HTTMAPTLMNAKMT2AMEN1
SCHEMBL29167150 0.67 AXL (0.68) HTTMAPTLMNAKMT2AMEN1
SCHEMBL13735702 0.63 LMNA (0.50) HTTMAPTLMNAKMT2AMEN1
SCHEMBL8104222 0.62 AXL (0.34) HTTSMN1; SMN2
SCHEMBL159806 0.62 KMT2A (0.56) HTTMAPTKMT2AMEN1ALDH1A1
SCHEMBL8875381 0.62 MAPT (0.58) HTTMAPTLMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825992-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-03-04 EP disclosed
WO-1996036633-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO disclosed