SCHEMBL8103078

SCHEMBL8103078

Cc1cc([N+](=O)[O-])c(C)c2c(C#N)ccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
VCAM1 P19320 1/20 0.39
CTSB P07858 4/20 0.39
MAPT P10636 7/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
RECQL P46063 1/20 0.39
CYP1A2 P05177 3/20 0.39
GRIA1 P42261 2/20 0.38
GRIA2 P42262 2/20 0.38
GRIA3 P42263 2/20 0.38
GRIA4 P48058 2/20 0.38
GRM6 O15303 1/20 0.38
CYP2C9 P11712 2/20 0.37
GAA P10253 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
POLB P06746 1/20 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
SCHEMBL8111748 0.83 MEN1 (0.45) MEN1KMT2ASMN1; SMN2CTSBMAPT
SCHEMBL8111508 0.79 CYP1A2 (0.49) MEN1KMT2ASMN1; SMN2CTSBMAPT
SCHEMBL8112332 0.79 MEN1 (0.49) MEN1KMT2ASMN1; SMN2CTSBMAPT
SCHEMBL8111535 0.77 MEN1 (0.44) MEN1KMT2ASMN1; SMN2CTSBMAPT
SCHEMBL8111311 0.76 NOS3 (0.34) ALDH1A1KDM4EGAA
SCHEMBL25291293 0.72 CTSB (0.51) MEN1KMT2ASMN1; SMN2VCAM1CTSB
SCHEMBL25248042 0.72 MEN1 (0.46) MEN1KMT2ASMN1; SMN2CTSBMAPT
SCHEMBL8112804 0.70 DRD1 (0.33)
SCHEMBL8112457 0.70 MEN1 (0.68) MEN1KMT2ASMN1; SMN2CTSBMAPT
SCHEMBL773066 0.69 VCAM1 (0.49) MEN1KMT2AVCAM1MAPTALDH1A1

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