SCHEMBL27459397

SCHEMBL27459397

O=S(=O)(c1ccccc1)c1ncncn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.54
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
PLA2G7 Q13093 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AKR1B1 P15121 1/20 0.39

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
SCHEMBL6924070 0.82 HTR6 (0.59) HTR6ALDH1A1HSD17B10TDP1CA12
SCHEMBL29116856 0.77 ALDH1A1 (0.37) HTR6ALDH1A1HSD17B10TDP1CA12
SCHEMBL5610257 0.77 HTR6 (0.52) HTR6ALDH1A1HSD17B10TDP1CA12
SCHEMBL8074581 0.77 HTR6 (0.65) HTR6ALDH1A1HSD17B10TDP1CA12
SCHEMBL10979591 0.75 HTR6 (0.50) HTR6ALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL11048012 0.75 HTR6 (0.50) HTR6ALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL11063128 0.75 HTR6 (0.50) HTR6ALDH1A1HSD17B10TDP1CA12
SCHEMBL10973648 0.75 HTR6 (0.50) HTR6ALDH1A1HSD17B10TDP1CA12
(Phenylsulfonyl)Benzene SCHEMBL29473549 0.72 HTR6 (1.00) HTR6ALDH1A1HSD17B10TDP1CA12
(Phenylsulfonyl)Benzene SCHEMBL30255 0.72 HTR6 (1.00) HTR6ALDH1A1HSD17B10TDP1CA12

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-1382216-A DNA coding for beta-tubulin and use thereof BAYER AG (DE) 2002-11-27 CN disclosed
CN-1140734-A Dyes, processes for their preparation and their use CIBA GEIGY AG (CH) 1997-01-22 CN disclosed