SCHEMBL6510409

SCHEMBL6510409

COC(=O)c1cc(Br)c(C(=O)Nc2cc(C(N)=O)c(NC(N)=O)s2)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.44
IKBKB O14920 8/20 0.42
JAK2 O60674 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
EIF2AK2 P19525 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
JAK3 P52333 1/20 0.40
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6508194 0.86 IKBKB (0.46) CHEK1IKBKBJAK2MEN1KMT2A
SCHEMBL6511724 0.80 MAPT (0.51) CHEK1IKBKBJAK2MEN1KMT2A
SCHEMBL6507704 0.77 CHEK1 (0.49) CHEK1IKBKBJAK2MEN1KMT2A
SCHEMBL6505282 0.76 MAPT (0.55) CHEK1IKBKBJAK2MEN1KMT2A
SCHEMBL6509621 0.74 SMN1; SMN2 (0.65) CHEK1IKBKBMEN1KMT2AMAPT
SCHEMBL6505484 0.73 CHEK1 (0.55) CHEK1IKBKBJAK2MEN1KMT2A
SCHEMBL1563630 0.73 CHEK1 (0.45) CHEK1IKBKBJAK2MEN1KMT2A
SCHEMBL6504891 0.72 IKBKB (0.57) CHEK1IKBKBJAK2MEN1KMT2A
SCHEMBL6514964 0.71 CHEK1 (0.57) CHEK1IKBKBMEN1KMT2ATDP1
SCHEMBL6507070 0.71 IKBKB (0.46) CHEK1IKBKBJAK2MEN1KMT2A

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