SCHEMBL7428689

SCHEMBL7428689

N=C(N)NCCCCCNS(=O)(=O)c1cccc2cnccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.65
PRKCG P05129 4/20 0.65
PRKCZ Q05513 4/20 0.65
PRKCD Q05655 4/20 0.65
PRKD3 O94806 3/20 0.65
PRKCB P05771 3/20 0.65
PRKCA P17252 3/20 0.65
PRKCH P24723 3/20 0.65
PRKCI P41743 3/20 0.65
PRKCE Q02156 3/20 0.65
PRKCQ Q04759 3/20 0.65
PRKD1 Q15139 3/20 0.65
CYP2D6 P10635 3/20 0.65
NFKB1 P19838 3/20 0.65
PRKACA P17612 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
PRKACG P22612 2/20 0.65
PRKACB P22694 2/20 0.65
TP53 P04637 2/20 0.65

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
SCHEMBL7427987 1.00 CYP3A4 (0.65) CYP3A4PRKCGPRKCZPRKCDPRKD3
SCHEMBL7427370 1.00 CYP3A4 (0.65) CYP3A4PRKCGPRKCZPRKCDPRKD3
SCHEMBL7426556 1.00 CYP3A4 (0.65) CYP3A4PRKCGPRKCZPRKCDPRKD3
SCHEMBL2910426 0.99 PRKCG (0.67) CYP3A4PRKCGPRKCZPRKCDPRKD3
SCHEMBL7427018 0.97 PRKCG (0.67) CYP3A4PRKCGPRKCZPRKCDPRKD3
SCHEMBL1272417 0.92 PRKACA (0.70) CYP3A4PRKCGPRKCZPRKCDPRKD3
Hydrochloric Acid SCHEMBL1165287 0.91 LMNA (0.70) CYP3A4PRKCGPRKCZPRKCDPRKD3
Hydrochloric Acid SCHEMBL5177180 0.91 LMNA (0.70) CYP3A4PRKCGPRKCZPRKCDPRKD3
Hydrochloric Acid SCHEMBL30084456 0.91 LMNA (0.70) CYP3A4PRKCGPRKCZPRKCDPRKD3
SCHEMBL10989067 0.85 CYP3A4 (0.81) CYP3A4PRKCGPRKCZPRKCDPRKD3

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