SCHEMBL28033655

SCHEMBL28033655

SOc1cccc2c1-c1ccccc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA4 P22748 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TOP1 P11387 1/20 0.35
ALDH1A1 P00352 6/20 0.34
MAPT P10636 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
KDM4E B2RXH2 2/20 0.34
APP P05067 1/20 0.34
USP2 O75604 1/20 0.34
DUSP3 P51452 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 2/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL491473 0.80 CA1 (0.39) CA1CA2CA7CA9CA12
SCHEMBL5576493 0.78 CA1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL16174455 0.78 CA1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL2146501 0.76 TOP1 (0.39) CA1CA2CA7CA9CA12
SCHEMBL2865619 0.76 CA1 (0.42) CA1CA2CA7CA9CA12
Ethane SCHEMBL29030193 0.76 CA1 (0.42) CA1CA2CA7CA9CA12
SCHEMBL6904484 0.74 ALDH1A1 (0.37) CA1CA2CA7CA9CA12
Formaldehyde SCHEMBL28708546 0.74 TOP1 (0.38) CA1CA2CA7CA9CA12
SCHEMBL1675994 0.73 TSHR (0.46) ALDH1A1KMT2AMAPK1TSHRL3MBTL1
SCHEMBL27288773 0.73 TOP1 (0.37) CA1CA2CA7CA9CA12

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
CN-105307856-A Film laminate and method for producing same TORAY INDUSTRIES 2016-02-03 CN disclosed