SCHEMBL21646643

SCHEMBL21646643

C=Cn1ccc(CCCCCl)n1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HDAC1 Q13547 5/20 0.31
HDAC7 Q8WUI4 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL21646636 0.71 HDAC1 (0.33) CA12CA1CA2CA9HDAC1
SCHEMBL536550 0.62
SCHEMBL1656403 0.62
SCHEMBL511224 0.58 EPHX2 (0.41) HDAC1
SCHEMBL18255991 0.58 BCHE (0.44)
SCHEMBL21599318 0.58
SCHEMBL8701907 0.58 HRH1 (0.69)
SCHEMBL31591272 0.58 HRH1 (0.69)
SCHEMBL3626758 0.58 ALDH1A1 (0.46)
SCHEMBL29145039 0.58 HRH1 (0.69)

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-2020018975-A1 SULFONIMIDAMIDE COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY GENENTECH, INC. (US) 2020-01-23 WO disclosed