SCHEMBL9710144

SCHEMBL9710144

O=[N+]([O-])c1cccc(CCc2cccc([N+](=O)[O-])c2S(=O)(=O)O)c1S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.46
ALDH1A1 P00352 5/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.41
HPGD P15428 1/20 0.41
S100A4 P26447 1/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL668582 0.85 GPR35 (0.56) GPR35ALDH1A1TSHRTDP1MEN1
SCHEMBL28031898 0.83 GPR35 (0.54) GPR35ALDH1A1TSHRTDP1MEN1
SCHEMBL6846085 0.80 KMT2A (0.55) GPR35ALDH1A1TDP1MEN1KMT2A
SCHEMBL6846086 0.80 KMT2A (0.55) GPR35ALDH1A1TDP1MEN1KMT2A
SCHEMBL11065207 0.79 PRMT5 (0.40) GPR35ALDH1A1TSHRTDP1MEN1
SCHEMBL4371976 0.79 GPR35 (0.56) GPR35ALDH1A1TSHRTDP1MEN1
Hydrochloric Acid SCHEMBL11758224 0.79 KMT2A (0.53) GPR35ALDH1A1TDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL11758232 0.79 KMT2A (0.53) GPR35ALDH1A1TDP1MEN1KMT2A
SCHEMBL731101 0.77 TSHR (0.56) GPR35ALDH1A1TSHRTDP1MEN1
SCHEMBL28213415 0.77 GPR35 (0.47) GPR35ALDH1A1TDP1MEN1KMT2A

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-1992022610-A1 AZO-DYE DERIVATIVES EXHIBITING ANTI-HIV ACTIVITY THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1992-12-23 WO disclosed