SCHEMBL8103386

SCHEMBL8103386

Cc1cc(NN2C=NCC2)c(C)c2c(C#N)ccnc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
RAB9A P51151 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LRRK2 Q5S007 2/20 0.32
ROCK2 O75116 7/20 0.32
ROCK1 Q13464 7/20 0.32
CDC42BPB Q9Y5S2 7/20 0.32
TBK1 Q9UHD2 1/20 0.32
PIM1 P11309 2/20 0.31
CDK9 P50750 2/20 0.31
CDC7 O00311 1/20 0.31

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 SCHEMBL8111500 0.86
SCHEMBL6964876 0.86 HTR2A (0.30)
Hydrochloric Acid SCHEMBL8692308 0.85
SCHEMBL8111743 0.81 HTR2A (0.32) KDM4EALDH1A1MAPTHSD17B10
SCHEMBL7743450 0.78 LRRK2 (0.36) NPC1ALDH1A1MAPTLRRK2
SCHEMBL8117248 0.75 L3MBTL1 (0.41) KDM4ENPC1ALDH1A1POLBMAPT
SCHEMBL8103379 0.74 ADRA2A (0.49) KDM4EALDH1A1MAPTALOX15HSD17B10
SCHEMBL8103382 0.74 ROCK2 (0.33) KDM4ENPC1ALDH1A1POLBMAPT
SCHEMBL6581925 0.73 IP6K1 (0.35)
SCHEMBL7210062 0.72

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