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
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