Isophthalic Acid

Isophthalic Acid

SCHEMBL28068084

CNc1cn(S(=O)(=O)c2cccnc2)c2cc(-c3ccccc3)ccc12.O=C(O)c1cccc(C(=O)O)c1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.45
KMO O15229 1/20 0.43
ACLY P53396 2/20 0.40
HDAC1 Q13547 2/20 0.39
PFKFB3 Q16875 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ABCB1 P08183 1/20 0.36
PTGS2 P35354 1/20 0.36
PLK1 P53350 1/20 0.36
MAPT P10636 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
Isophthalic Acid SCHEMBL28068139 0.93 KMO (0.42) HTR6KMOACLYCSNK2A2CSNK2B
Isophthalic Acid SCHEMBL28068050 0.92 KMO (0.41) HTR6KMOACLYCSNK2A2CSNK2B
Isophthalic Acid SCHEMBL28068081 0.85 CKS1B (0.38) HTR6KMOPTGS2
Isophthalic Acid SCHEMBL28068089 0.84 AKR1C3 (0.40) HTR6PTGS2MAPT
Isophthalic Acid SCHEMBL28068086 0.84 AKR1C3 (0.39) HTR6PTGS2MAPT
Isophthalic Acid SCHEMBL28068046 0.80 MAPT (0.39) MAPT
Isophthalic Acid SCHEMBL28068125 0.80 MAPT (0.38) MAPT
Isophthalic Acid SCHEMBL28068093 0.79 LMNA (0.39) CYP11B1CYP11B2
SCHEMBL16619172 0.77 HTR6 (0.46) HTR6
SCHEMBL16619000 0.77 HTR6 (0.46) HTR6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105612150-A Sulfonylindole derivatives and process for producing the same DAE WOONG PHARMA 2016-05-25 CN claimed
CN-105612150-A Sulfonylindole derivatives and process for producing the same DAE WOONG PHARMA 2016-05-25 CN disclosed