SCHEMBL6583318

SCHEMBL6583318

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
MAPT P10636 4/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 3/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 2/20 0.49
AKR1B10 O60218 1/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
RECQL P46063 1/20 0.46
GAA P10253 1/20 0.43

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
SCHEMBL5089045 0.82 VCAM1 (0.51) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL7412565 0.81 HCAR3 (0.57) MAPTMAPK1AKR1B10AKR1C4AKR1C3
SCHEMBL31480948 0.81 LMNA (0.48) TSHRRAB9ANPC1MAPTKMT2A
SCHEMBL29924837 0.79 APP (0.52) AKR1B10AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL10110060 0.79 AKR1C1 (0.57) TSHRKMT2AMEN1AKR1B10AKR1C4
SCHEMBL6579375 0.76 TSHR (0.50) TSHRRAB9ANPC1MAPTKMT2A
SCHEMBL7424106 0.75 VCAM1 (0.48) RAB9AMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL7424865 0.75 HCAR3 (0.53) TSHRMAPTKMT2AMEN1MAPK1
SCHEMBL16097080 0.75 IDO1 (0.51) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL16353290 0.74 AKR1C3 (0.78) AKR1B10AKR1C4AKR1C3AKR1C2AKR1C1

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