SCHEMBL3799216

SCHEMBL3799216

O=C(OS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 6/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 1/20 0.41
HTR6 P50406 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
PARL Q9H300 1/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL9539575 0.80 TSHR (0.48) SMN1; SMN2TSHRALDH1A1MAPTHTR6
SCHEMBL31184336 0.80 TSHR (0.48) SMN1; SMN2TSHRALDH1A1MAPTLMNA
SCHEMBL9539580 0.80 TSHR (0.48) SMN1; SMN2TSHRALDH1A1MAPTLMNA
SCHEMBL19810089 0.80 TSHR (0.48) SMN1; SMN2TSHRALDH1A1MAPTHTR6
SCHEMBL4436494 0.78 SMN1; SMN2 (0.46) SMN1; SMN2TSHRALDH1A1MAPTHTR6
SCHEMBL27830939 0.78 TSHR (0.46) SMN1; SMN2TSHRALDH1A1MAPTLMNA
SCHEMBL27259817 0.78 TSHR (0.46) SMN1; SMN2TSHRALDH1A1MAPTLMNA
SCHEMBL5455252 0.77 SMN1; SMN2 (0.54) SMN1; SMN2TSHRALDH1A1MAPTLMNA
SCHEMBL31215190 0.77 BCAT1 (0.46) SMN1; SMN2TSHRALDH1A1MAPTLMNA
SCHEMBL21847739 0.77 TDP1 (0.46) SMN1; SMN2TSHRALDH1A1MAPTHTR6

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-2010126922-A1 BENZIMIDAZOLECARBOXAMIDES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-11-04 WO disclosed