SCHEMBL6961602

SCHEMBL6961602

O=S(=O)(c1ccc(-n2cccc2)cc1Cl)c1cccc2cnccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 6/20 0.46
PRKCG P05129 6/20 0.46
PRKCB P05771 6/20 0.46
CYP3A4 P08684 6/20 0.46
PRKCA P17252 6/20 0.46
PRKCH P24723 6/20 0.46
PRKCI P41743 6/20 0.46
PRKCE Q02156 6/20 0.46
PRKCQ Q04759 6/20 0.46
PRKCZ Q05513 6/20 0.46
PRKCD Q05655 6/20 0.46
PRKD1 Q15139 6/20 0.46
PRKACA P17612 4/20 0.46
PRKACG P22612 4/20 0.46
PRKACB P22694 4/20 0.46
ADORA3 P0DMS8 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
ROCK2 O75116 8/20 0.42

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
SCHEMBL6958223 0.82 P2RX7 (0.42) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL6974826 0.82 CYP3A4 (0.48) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL6966104 0.82 PRKD3 (0.47) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL6967362 0.78 CYP3A4 (0.59) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL6963597 0.78 PRKD3 (0.46) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL6966225 0.77 P2RX7 (0.45) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL6968810 0.77 CYP3A4 (0.49) PRKD3PRKCGPRKCBCYP3A4PRKCA
Sulfuric Acid SCHEMBL6970891 0.74 P2RX7 (0.45) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL6967840 0.74 PRKD3 (0.44) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL6975024 0.73 CYP19A1 (0.44) PRKD3PRKCGPRKCBCYP3A4PRKCA

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
EP-0855391-B1 NOVEL ISOQUINOLINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2003-10-15 EP disclosed
EP-0855391-A1 NOVEL ISOQUINOLINE DERIVATIVES SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1998-07-29 EP disclosed