SCHEMBL8913812

SCHEMBL8913812

CC(C)[C@H](NS(=O)(=O)c1cccc2cnccc12)C(=O)O.NC(=O)N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.51
PRKD3 O94806 4/20 0.50
PRKCG P05129 4/20 0.50
PRKCB P05771 4/20 0.50
PRKCA P17252 4/20 0.50
PRKACA P17612 4/20 0.50
PRKACG P22612 4/20 0.50
PRKACB P22694 4/20 0.50
PRKCH P24723 4/20 0.50
PRKCI P41743 4/20 0.50
PRKCE Q02156 4/20 0.50
PRKCQ Q04759 4/20 0.50
PRKCZ Q05513 4/20 0.50
PRKCD Q05655 4/20 0.50
PRKD1 Q15139 4/20 0.50
CYP3A4 P08684 3/20 0.50
ADORA3 P0DMS8 2/20 0.50
CYP2C19 P33261 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL8912770 0.91 ROCK2 (0.53) ROCK2PRKD3PRKCGPRKCBPRKCA
SCHEMBL8914454 0.83 P2RX7 (0.51) ROCK2PRKD3PRKCGPRKCBPRKCA
SCHEMBL8913820 0.83 PRKD3 (0.53) ROCK2PRKD3PRKCGPRKCBPRKCA
SCHEMBL8914335 0.81 ALDH1A1 (0.45) CYP3A4CYP2C19KDM4ECYP1A2MEN1
SCHEMBL9397203 0.78 PRKD3 (0.61) ROCK2PRKD3PRKCGPRKCBPRKCA
SCHEMBL8912797 0.78 SLC1A3 (0.47) PRKD3PRKCGPRKCBPRKCAPRKACA
SCHEMBL8915067 0.77 MMP2 (0.56) MMP1SLC1A3SLC1A2SLC1A1
SCHEMBL8912773 0.77 PRKD3 (0.54) ROCK2PRKD3PRKCGPRKCBPRKCA
SCHEMBL9398259 0.74 PRKD3 (0.61) ROCK2PRKD3PRKCGPRKCBPRKCA
SCHEMBL8914961 0.74 PRKD3 (0.56) ROCK2PRKD3PRKCGPRKCBPRKCA

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
US-5663174-A ANTIINFLAMMATORY AGENTS, INHIBITOR OF KINASES, ANTIARTHRITIC AGENTS PHARNO-WEDROPHARM GMBH (DE) 1997-09-02 US disclosed
EP-0602028-B1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARNO WEDROPHARM GMBH (DE) 1996-01-17 EP disclosed