SCHEMBL8655464

SCHEMBL8655464

Cn1cc(C2=CC(=O)N(c3c4n(c5ccccc35)CCC(CN)C4)C2=O)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCE Q02156 5/20 0.59
MYLK Q15746 4/20 0.59
PRKD3 O94806 3/20 0.59
PRKCG P05129 3/20 0.59
PRKCB P05771 3/20 0.59
PRKCA P17252 3/20 0.59
PRKCH P24723 3/20 0.59
PRKCQ Q04759 3/20 0.59
PRKCD Q05655 3/20 0.59
PRKD1 Q15139 3/20 0.59
PRKACA P17612 2/20 0.59
PRKACG P22612 2/20 0.59
PRKACB P22694 2/20 0.59
PHKG2 P15735 1/20 0.47
PRKCI P41743 1/20 0.47
PHKA2 P46019 1/20 0.47
PHKA1 P46020 1/20 0.47
GSK3B P49841 1/20 0.47
PRKCZ Q05513 1/20 0.47
PHKG1 Q16816 1/20 0.47

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 SCHEMBL8654397 0.99 PRKCE (0.58) PRKCEMYLKPRKD3PRKCGPRKCB
SCHEMBL8656310 0.93 PRKCE (0.51) PRKCEMYLKPRKD3PRKCGPRKCB
Hydrochloric Acid SCHEMBL8658412 0.91 PRKCE (0.50) PRKCEMYLKPRKD3PRKCGPRKCB
Acetic Acid SCHEMBL8657694 0.91 PRKCE (0.51) PRKCEMYLKPRKD3PRKCGPRKCB
SCHEMBL8656833 0.91 PRKCB (0.47) PRKCEMYLKPRKD3PRKCGPRKCB
Hydrochloric Acid SCHEMBL8655886 0.90 PRKCE (0.49) PRKCEMYLKPRKD3PRKCGPRKCB
Acetic Acid SCHEMBL8656361 0.88 PRKCE (0.50) PRKCEMYLKPRKD3PRKCGPRKCB
Hydrochloric Acid SCHEMBL8654746 0.88 PRKD3 (0.44) PRKCEMYLKPRKD3PRKCGPRKCB
SCHEMBL8660412 0.87 PRKCE (0.45) PRKCEMYLKPRKD3PRKCGPRKCB
Hydrochloric Acid SCHEMBL8654310 0.87 PRKCE (0.49) PRKCEMYLKPRKD3PRKCGPRKCB

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-5721245-A ANTIINFLAMMATORY AGENTS, RESPIRATORY SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1998-02-24 US claimed
US-5721245-A ANTIINFLAMMATORY AGENTS, RESPIRATORY SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1998-02-24 US disclosed