SCHEMBL9435955

SCHEMBL9435955

O=S(=O)(C1=CCC(S(=O)(=O)O)(S(=O)(=O)O)C=C1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.39
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 2/20 0.32
HSD11B1 P28845 1/20 0.32
GFER P55789 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
PSIP1 O75475 1/20 0.32
MAPT P10636 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL27841263 0.78 HTR6 (0.42) HTR6TSHRSMN1; SMN2NPSR1POLB
SCHEMBL5321336 0.76 SMN1; SMN2 (0.34) TSHRSMN1; SMN2LMNACA1CA2
SCHEMBL28795820 0.75 HTR6 (0.39) HTR6SMN1; SMN2NPSR1POLBGAA
SCHEMBL1079970 0.75 HTR6 (0.39) HTR6TSHRSMN1; SMN2NPSR1POLB
SCHEMBL447640 0.74 TSHR (0.31) TSHRSMN1; SMN2MMP2
Hydrochloric Acid SCHEMBL27544049 0.73 TSHR (0.31) TSHRSMN1; SMN2MMP2
SCHEMBL3320852 0.72 HTR6 (0.36) HTR6GAAMCOLN3
SCHEMBL27858878 0.72 HSD11B1 (0.36) HTR6TSHRNPSR1LMNAHSD11B1
SCHEMBL9436161 0.71 SMN1; SMN2 (0.34) TSHRSMN1; SMN2LMNACA1CA2
SCHEMBL27843908 0.67 CA12 (0.32) CA1CA2

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
EP-0581898-A1 POLYANILINE COMPOSITIONS HAVING A SURFACE/CORE DOPANT ARRANGEMENT AlliedSignal Inc. (US) 1994-02-09 EP disclosed
WO-1992018988-A1 POLYANILINE COMPOSITIONS HAVING A SURFACE/CORE DOPANT ARRANGEMENT ALLIED-SIGNAL INC. (US) 1992-10-29 WO disclosed