SCHEMBL6971485

SCHEMBL6971485

CCn1c(C)nc2cc(S(=O)(=O)c3cccc4cnccc34)c([N+](=O)[O-])cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
HTT P42858 4/20 0.40
HTR6 P50406 1/20 0.39
PRKD3 O94806 3/20 0.38
PRKCG P05129 3/20 0.38
PRKCB P05771 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
PRKCA P17252 3/20 0.38
NFKB1 P19838 3/20 0.38
PRKCH P24723 3/20 0.38
PRKCI P41743 3/20 0.38
PRKCE Q02156 3/20 0.38
PRKCQ Q04759 3/20 0.38
PRKCZ Q05513 3/20 0.38
PRKCD Q05655 3/20 0.38
PRKD1 Q15139 3/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6973974 0.96 LMNA (0.40) LMNASMN1; SMN2HTTHTR6PRKD3
SCHEMBL6969044 0.80 KDM4E (0.36) LMNASMN1; SMN2HTTCYP1A2GAA
SCHEMBL6963410 0.79 KDM4E (0.36) LMNASMN1; SMN2HTTCYP1A2GAA
SCHEMBL6972930 0.78 PRKD3 (0.41) LMNASMN1; SMN2HTTHTR6PRKD3
SCHEMBL6967350 0.76 SMN1; SMN2 (0.44) LMNASMN1; SMN2HTTHTR6PRKD3
SCHEMBL6970886 0.74 PRKD3 (0.43) LMNASMN1; SMN2HTTHTR6PRKD3
SCHEMBL6965038 0.73 CYP3A4 (0.44) LMNASMN1; SMN2HTTHTR6PRKD3
SCHEMBL6966488 0.73 MEN1 (0.44) LMNASMN1; SMN2PRKD3PRKCGPRKCB
Sulfuric Acid SCHEMBL6973792 0.72 PRKD3 (0.41) LMNASMN1; SMN2HTTPRKD3PRKCG
SCHEMBL6958223 0.71 P2RX7 (0.42) LMNASMN1; SMN2HTTHTR6PRKD3

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
EP-0855391-B1 NOVEL ISOQUINOLINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2003-10-15 EP disclosed
US-5959107-A Isoquinoline derivatives SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1999-09-28 US disclosed
EP-0855391-A1 NOVEL ISOQUINOLINE DERIVATIVES SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1998-07-29 EP disclosed