SCHEMBL8118907

SCHEMBL8118907

COc1ccnc2c(C)cc(N)c(C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.41
CASP6 P55212 1/20 0.41
G6PD P11413 1/20 0.41
MAPT P10636 2/20 0.40
CDK5 Q00535 3/20 0.38
CDK5R1 Q15078 3/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
IKBKB O14920 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 2/20 0.38
GAA P10253 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOS3 P29474 2/20 0.37
NOS2 P35228 2/20 0.37

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
SCHEMBL6971396 0.82 NOS2 (0.45) CYP3A4NOS3NOS2NOS1PRMT5
SCHEMBL3454103 0.80 NSD2 (0.44) NSD2CASP6G6PDMAPTCDK5
SCHEMBL8111535 0.76 MEN1 (0.44) MAPTALDH1A1CYP3A4GAATDP1
SCHEMBL14389206 0.75 NSD2 (0.47) NSD2CASP6G6PDMAPTCDK5
SCHEMBL8112472 0.75 APLNR (0.41) MAPTCDK5CDK5R1CCNB2CDK1
SCHEMBL8111311 0.74 NOS3 (0.34) GSK3BALDH1A1GAANOS3NOS2
SCHEMBL7177793 0.72 NSD2 (0.41) NSD2CASP6G6PDMAPTCDK5
SCHEMBL11544326 0.71 NSD2 (0.46) NSD2CASP6G6PDGSK3B
SCHEMBL13811001 0.70 SRC (0.37) MAPTGAASMN1; SMN2PRKD3
SCHEMBL11546694 0.70 NSD2 (0.44) NSD2CASP6G6PDMAPTGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736020-B1 6-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2000-04-26 EP disclosed
US-5804587-A 6-(2-imidazolinylamino) quinolines useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1998-09-08 US disclosed
US-5739148-A RESPIRATORY SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, VISION DISORDERS THE PROCTER & GAMBLE COMPANY 1998-04-14 US disclosed
US-5578607-A 6-(2-imidazolinylamino)quinoline compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1996-11-26 US disclosed
EP-0736020-A1 6-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1996-10-09 EP disclosed
WO-1995016683-A1 6-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1995-06-22 WO disclosed