SCHEMBL6507728

SCHEMBL6507728

NC(=O)Nc1sc(NC(=O)c2ccc3ccccc3c2)cc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.50
JAK2 O60674 2/20 0.50
JAK3 P52333 1/20 0.50
PLAU P00749 1/20 0.49
KDR P35968 1/20 0.47
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
DEGS1 O15121 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
EIF2AK2 P19525 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL6506347 0.84 IKBKB (0.61) IKBKBJAK2JAK3KDRNPC1
SCHEMBL6509110 0.82 IKBKB (0.63) IKBKBJAK2JAK3KDRNPC1
SCHEMBL6530168 0.81 IKBKB (0.62) IKBKBJAK2JAK3KDRNPC1
SCHEMBL6512362 0.81 IKBKB (0.57) IKBKBJAK2JAK3NPC1RAB9A
SCHEMBL6530279 0.81 IKBKB (0.48) IKBKBJAK2JAK3KDRNPC1
SCHEMBL6507659 0.80 IKBKB (0.53) IKBKBJAK2JAK3NPC1RAB9A
SCHEMBL6509621 0.80 SMN1; SMN2 (0.65) IKBKBKDRNPC1RAB9AKMT2A
SCHEMBL6506340 0.80 FLT3 (0.51) IKBKBJAK2JAK3NPC1RAB9A
SCHEMBL6514964 0.80 CHEK1 (0.57) IKBKBNPC1RAB9AKMT2AMEN1
SCHEMBL6512284 0.80 CHEK1 (0.47) IKBKBJAK2JAK3KDRNPC1

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