SCHEMBL7430628

SCHEMBL7430628

N=C(N)NCCCC(CNS(=O)(=O)c1cccc2cnccc12)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 3/20 0.50
PRKCG P05129 3/20 0.50
PRKCB P05771 3/20 0.50
PRKCA P17252 3/20 0.50
PRKCH P24723 3/20 0.50
PRKCI P41743 3/20 0.50
PRKCE Q02156 3/20 0.50
PRKCQ Q04759 3/20 0.50
PRKCZ Q05513 3/20 0.50
PRKCD Q05655 3/20 0.50
PRKD1 Q15139 3/20 0.50
MELK Q14680 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
NFKB1 P19838 2/20 0.50
PRKACA P17612 2/20 0.50
PRKACG P22612 2/20 0.50
PRKACB P22694 2/20 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
SCHEMBL7422710 0.93 PRKD3 (0.53) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL7427548 0.90 PRKD3 (0.52) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL7488765 0.86 CYP3A4 (0.59) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL7430116 0.83 PRKD3 (0.55) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL7426279 0.82 PRKD3 (0.62) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL7429931 0.82 MELK (0.48) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL2910426 0.82 PRKCG (0.67) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL7427018 0.82 PRKCG (0.67) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL7432964 0.82 PRKD3 (0.58) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL7428689 0.81 CYP3A4 (0.65) PRKD3PRKCGPRKCBPRKCAPRKCH

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4709032-A VASODILATION AND HYPOTENSIVE AGENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-11-24 US disclosed
US-4634770-A VASODILATORS, HYPOTENSIVES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-01-06 US disclosed
EP-0109023-A1 Isoquinolinesulfonamide derivatives and process for the preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-05-23 EP disclosed