SCHEMBL28111037

SCHEMBL28111037

NCCCCCCOS(=O)(=S)OCCCCCCN

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 17/20 0.48
CA2 P00918 17/20 0.48
CA9 Q16790 16/20 0.48
CA12 O43570 7/20 0.48
CA7 P43166 7/20 0.48
CA14 Q9ULX7 7/20 0.48
CA3 P07451 6/20 0.48
CA4 P22748 6/20 0.48
CA6 P23280 6/20 0.48
CA5A P35218 6/20 0.48
CA5B Q9Y2D0 6/20 0.48
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
DNM1 Q05193 1/20 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
SCHEMBL27957429 0.98 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL27396997 0.90 CA1 (0.42) CA1CA2CA9CA12CA7
SCHEMBL15709118 0.84 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL15709427 0.84 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL15709277 0.84 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL15709530 0.84 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL15709672 0.84 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL8221868 0.84 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL15709430 0.84 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL15709171 0.84 CA1 (0.46) CA1CA2CA9CA12CA7

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-103570978-B Rubber composition for tire and pneumatic tire 住友橡胶工业株式会社 2016-12-28 CN disclosed