SCHEMBL4979048

SCHEMBL4979048

CC(=O)Nc1cc(-c2ccc(Cl)cc2)sc1OC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
MAPT P10636 7/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.45
PTPN1 P18031 1/20 0.45
PTPRA P18433 1/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
GFER P55789 1/20 0.44
IKBKB O14920 4/20 0.44
GLA P06280 1/20 0.43

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
SCHEMBL4975594 0.87 IKBKB (0.52) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL4975571 0.80 IKBKB (0.62) KDM4EMAPTRAB9ANPC1CASP3
SCHEMBL6534391 0.76 PTPN1 (0.75) KDM4EMAPTALDH1A1POLBLMNA
SCHEMBL3817368 0.72 HPGD (0.56) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL5898665 0.72 IKBKB (0.59) KMT2AMEN1IKBKB
SCHEMBL3809006 0.72 KMT2A (0.51) KDM4EMAPTALDH1A1LMNAPTPN1
SCHEMBL1563671 0.70 NPSR1 (0.70) KDM4EMAPTRAB9ANPC1CASP3
SCHEMBL3811534 0.69 ACLY (0.52) KDM4EALDH1A1POLBNPSR1IKBKB
SCHEMBL1382530 0.69 IKBKB (0.78) KDM4EMAPTRAB9ANPC1CASP3
SCHEMBL3809896 0.68 ACLY (0.53) KDM4EMAPTALDH1A1NPSR1GAA

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-1448545-B1 NF-KB INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-11-19 EP claimed