SCHEMBL6512362

SCHEMBL6512362

NC(=O)Nc1sc(NC(=O)c2cccc(F)c2)cc1C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.57
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
JAK2 O60674 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
EIF2AK2 P19525 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
JAK3 P52333 1/20 0.51
PARP1 P09874 1/20 0.49
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
KCNK3 O14649 1/20 0.47
HDAC1 Q13547 1/20 0.47
CYP1A2 P05177 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL6506340 0.86 FLT3 (0.51) IKBKBMEN1KMT2AJAK2HDAC6
SCHEMBL6509110 0.85 IKBKB (0.63) IKBKBMEN1KMT2AJAK2HDAC6
SCHEMBL6530168 0.85 IKBKB (0.62) IKBKBMEN1KMT2AJAK2HDAC6
SCHEMBL6507704 0.84 CHEK1 (0.49) IKBKBMEN1KMT2AJAK2HDAC6
SCHEMBL6510003 0.84 P2RX1 (0.52) IKBKBMEN1KMT2AJAK2JAK3
SCHEMBL6510633 0.83 MEN1 (0.48) IKBKBMEN1KMT2AJAK2HDAC6
SCHEMBL6510833 0.83 IKBKB (0.53) IKBKBMEN1KMT2AJAK2HDAC6
SCHEMBL6514964 0.83 CHEK1 (0.57) IKBKBMEN1KMT2ATDP1PARP1
SCHEMBL6507728 0.81 IKBKB (0.50) IKBKBMEN1KMT2AJAK2HDAC6
SCHEMBL6503111 0.80 MAPK8 (0.67) IKBKBMEN1KMT2AJAK2HDAC6

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