SCHEMBL6582170

SCHEMBL6582170

CCc1c([N+](=O)[O-])cc(C)c(NC(C)=O)c1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
GAA P10253 3/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.44
GALR2 O43603 1/20 0.44
MITF O75030 1/20 0.44
HSP90AA1 P07900 1/20 0.44
XBP1 P17861 1/20 0.44
CCR6 P51684 1/20 0.44
KMT2A Q03164 3/20 0.42
RECQL P46063 1/20 0.40
MAPK1 P28482 1/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.38
PTPRB P23467 1/20 0.38

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
SCHEMBL5202826 0.82 GAA (0.49) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL6585172 0.82 L3MBTL1 (0.38) MAPTGAAALDH1A1HPGDNPSR1
SCHEMBL5203453 0.77 GAA (0.56) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL31569422 0.74 MAPT (0.43) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL3635385 0.73 ALDH1A1 (0.65) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL6579493 0.73 POLB (0.43) MAPTKDM4EALDH1A1HPGDNPSR1
SCHEMBL3600720 0.73 KDM4E (0.45) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL3635793 0.72 ALDH1A1 (0.47) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL6488967 0.72 ALDH1A1 (0.49) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL1285514 0.72 MAPT (0.56) MAPTGAAKDM4EALDH1A1HPGD

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 4 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
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