SCHEMBL19971492

SCHEMBL19971492

O=Cc1cn(S(=O)(=O)c2cccnc2)c2cc(C(=O)O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
UBE2N P61088 1/20 0.43
CA2 P00918 6/20 0.40
CA9 Q16790 6/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
KMO O15229 1/20 0.37
ALDH1A1 P00352 2/20 0.37
APP P05067 1/20 0.37
GAA P10253 1/20 0.37
HCAR3 P49019 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
CSNK2A2 P19784 2/20 0.36
CSNK2B P67870 2/20 0.36
HDAC1 Q13547 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
IP6K1 Q92551 1/20 0.36
IP6K3 Q96PC2 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
SCHEMBL16618750 0.89 KDM4E (0.43) KDM4EUBE2NCA2CA9PDE4A
SCHEMBL16618966 0.83 KDM4E (0.45) KDM4EUBE2NCA2CA9HDAC1
SCHEMBL28207045 0.81 KDM4E (0.64) KDM4EUBE2NCA2CA9ALDH1A1
SCHEMBL19971473 0.79 PDE4A (0.44) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL18950229 0.77 PDE4A (0.42) KDM4EUBE2NCA2CA9PDE4A
SCHEMBL19971360 0.74 AKR1C3 (0.56) KDM4EHDAC1NAPRTIDELMNA
Isophthalic Acid SCHEMBL28068089 0.73 AKR1C3 (0.40) CA2CA9PDE4APDE4BPDE4C
SCHEMBL19971435 0.73 HTR6 (0.40) PDE4APDE4BPDE4CPDE4DHDAC1
Isophthalic Acid SCHEMBL28068086 0.72 AKR1C3 (0.39) CA2CA9PDE4APDE4BPDE4C
Isophthalic Acid SCHEMBL28068084 0.72 HTR6 (0.45) KMOCSNK2A2CSNK2BHDAC1MKNK1

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
EP-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP claimed