SCHEMBL7811531

SCHEMBL7811531

CC1CCN(S(=O)(=O)c2cccc3c(O)ncc(F)c23)CCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCD Q05655 4/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ PRKCE Q02156 3/20 0.44
▸ PRKD1 Q15139 3/20 0.44
▸ NFKB1 P19838 2/20 0.44
▸ PRKD3 O94806 2/20 0.44
▸ PRKCG P05129 2/20 0.44
▸ PRKCB P05771 2/20 0.44
▸ PRKCA P17252 2/20 0.44
▸ PRKCH P24723 2/20 0.44
▸ PRKCI P41743 2/20 0.44
▸ PRKCQ Q04759 2/20 0.44
▸ PRKCZ Q05513 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ LMNA P02545 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
Hydrochloric Acid SCHEMBL7811543 0.88 CYP3A4 (0.44) PRKCDCYP3A4PRKCEPRKD1NFKB1
SCHEMBL7811496 0.82 CYP3A4 (0.55) PRKCDCYP3A4PRKCEPRKD1NFKB1
SCHEMBL7810737 0.80 ROCK2 (0.59) PRKCDCYP3A4PRKCEPRKD1NFKB1
SCHEMBL2007210 0.80 ALOX5AP (0.49) ALOX5APFEN1COMT
SCHEMBL2008831 0.80 ALOX5AP (0.49) ALOX5APFEN1COMT
SCHEMBL2007211 0.80 ALOX5AP (0.49) ALOX5APFEN1COMT
SCHEMBL2004580 0.80 ALOX5AP (0.51) ALOX5APFEN1COMTL3MBTL1
SCHEMBL2000949 0.80 ALOX5AP (0.51) ALOX5APFEN1COMTL3MBTL1
SCHEMBL2000952 0.80 ALOX5AP (0.51) ALOX5APFEN1COMTL3MBTL1
SCHEMBL7807342 0.79 ROCK2 (0.58) PRKCDCYP3A4PRKCEPRKD1NFKB1

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
EP-1074545-A1 ISOQUINOLINESULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Hidaka, Hiroyoshi (JP) 2001-02-07 — — EP disclosed
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