SCHEMBL6579375

SCHEMBL6579375

Cc1ccc(C2(Br)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 2/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.43
MCOLN3 Q8TDD5 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL6583318 0.76 TSHR (0.54) TSHRALDH1A1CYP3A4RECQLCES2
SCHEMBL24116620 0.76 TSHR (0.46) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL6583320 0.75 ALDH1A1 (0.49) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL22978368 0.73 ALDH1A1 (0.46) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL375669 0.71 TSHR (0.60) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL30955249 0.71 TSHR (0.60) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL171914 0.70 TSHR (0.72) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL7190826 0.70 TSHR (0.64) TSHRALDH1A1CYP3A4RECQLHSD17B10
SCHEMBL29613904 0.70 TSHR (0.72) TSHRALDH1A1CYP3A4RECQLHSD17B10
Water SCHEMBL27358242 0.69 TSHR (0.58) TSHRALDH1A1CYP3A4RECQLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037887-B1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY PROCTER & GAMBLE (US) 2004-07-14 EP disclosed
US-6486190-B1 5-(2-imidazolinylamino)-benzimidazole derivatives, their preparation and their use as .alpha.-adrenoceptor agonists with improved metabolic stability THE PROCTER & GAMBLE COMPANY 2002-11-26 US disclosed
CN-1284073-A 5- (2-imidazolinylamino) -benzimidazole derivatives, their preparation and their use as alpha-adrenergic receptor agonists with improved metabolic stability PROCTER & GAMBLE (US) 2001-02-14 CN disclosed
EP-1037887-A1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY THE PROCTER & GAMBLE COMPANY (US) 2000-09-27 EP disclosed
WO-1999026942-A1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY THE PROCTER & GAMBLE COMPANY (US) 1999-06-03 WO disclosed