SCHEMBL6514944

SCHEMBL6514944

NC(=O)Nc1sc(C(=O)O)cc1NC=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.37
IKBKB O14920 6/20 0.36
JAK2 O60674 2/20 0.36
JAK3 P52333 1/20 0.36
CHEK1 O14757 6/20 0.34
GPR35 Q9HC97 1/20 0.33
MAP4K4 O95819 1/20 0.33
DAO P14920 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
EIF2AK2 P19525 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
P2RY14 Q15391 2/20 0.32

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
SCHEMBL6506816 0.87 CHEK1 (0.36) IKBKBCHEK1KDM4EALDH1A1MAPT
SCHEMBL6506529 0.81 KDM5A (0.36) KDM5AIKBKBJAK2JAK3CHEK1
SCHEMBL6512268 0.81 IKBKB (0.35) KDM5AIKBKBJAK2JAK3CHEK1
SCHEMBL6505649 0.77 IKBKB (0.45) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL6508772 0.76 IKBKB (0.38) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL6505865 0.73 IKBKB (0.58) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL6509499 0.69 PTK2 (0.40) KDM5AMEN1KMT2AALDH1A1MAPT
SCHEMBL6512326 0.68 IKBKB (0.36) KDM5AIKBKBJAK2JAK3CHEK1
SCHEMBL6507152 0.62 IKBKB (0.57) IKBKBJAK2JAK3CHEK1MEN1
SCHEMBL6508526 0.62 PTK2 (0.40) MEN1KMT2AKDM4EALDH1A1MAPT

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
WO-2005105777-A1 SUBSTITUTED THIOPHENE AMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA & UPJOHN COMPANY LLC (US) 2005-11-10 WO disclosed