SCHEMBL6505282

SCHEMBL6505282

COc1ccccc1C(=O)Nc1cc(C(N)=O)c(NC(N)=O)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
KDM4E B2RXH2 1/20 0.55
KCNK3 O14649 3/20 0.51
KCNK9 Q9NPC2 3/20 0.51
KMT2A Q03164 3/20 0.51
TP53 P04637 1/20 0.51
CHEK1 O14757 1/20 0.50
IKBKB O14920 2/20 0.49
JAK2 O60674 2/20 0.49
JAK3 P52333 1/20 0.49
CTSD P07339 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
MAPK1 P28482 2/20 0.47
MEN1 O00255 1/20 0.47
EIF2AK2 P19525 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL6504891 0.82 IKBKB (0.57) KDM4EKMT2ACHEK1IKBKBJAK2
SCHEMBL6506008 0.81 IKBKB (0.56) KCNK3KCNK9KMT2ACHEK1IKBKB
SCHEMBL7003324 0.80 IKBKB (0.64) MAPTKDM4ECHEK1IKBKBJAK2
SCHEMBL6507659 0.79 IKBKB (0.53) MAPTKDM4EKMT2ACHEK1IKBKB
SCHEMBL6508136 0.79 IKBKB (0.60) MAPTKMT2ATP53CHEK1IKBKB
SCHEMBL6503091 0.79 IKBKB (0.50) KCNK3KCNK9KMT2ACHEK1IKBKB
SCHEMBL6509621 0.79 SMN1; SMN2 (0.65) MAPTKDM4EKMT2ATP53CHEK1
SCHEMBL6514964 0.79 CHEK1 (0.57) MAPTKDM4EKCNK3KCNK9KMT2A
SCHEMBL6511724 0.78 MAPT (0.51) MAPTKDM4EKMT2ACHEK1IKBKB
SCHEMBL6507704 0.77 CHEK1 (0.49) MAPTKDM4EKMT2ACHEK1IKBKB

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