SCHEMBL6579702

SCHEMBL6579702

Cc1c([N+](=O)[O-])ccc2nc(N)[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
TYMS P04818 6/20 0.47
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DHFR P00374 1/20 0.38
CYP3A4 P08684 2/20 0.37
RECQL P46063 1/20 0.37
GAA P10253 1/20 0.36
KLK3 P07288 1/20 0.36

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
SCHEMBL6142558 0.85 TDP1 (0.46) ALDH1A1TDP1TYMSMAPTNPC1
SCHEMBL5683322 0.78 ALDH1A1 (0.49) ALDH1A1TDP1TYMSMAPTL3MBTL1
SCHEMBL28193454 0.78 GAA (0.40) ALDH1A1TDP1MAPTNPC1MAPK1
SCHEMBL6583629 0.78 GRIA1 (0.39) ALDH1A1TDP1MAPTNPC1MAPK1
SCHEMBL1201707 0.78 TYMS (0.56) ALDH1A1TDP1TYMSMAPTNPC1
SCHEMBL6579698 0.75 TDP1 (0.44) ALDH1A1TDP1TYMSTSHRSMN1; SMN2
SCHEMBL2541923 0.74 FABP6 (0.46) ALDH1A1TYMSMAPTMAPK1RECQL
SCHEMBL6581227 0.74 FABP6 (0.44) ALDH1A1TDP1TYMSMAPTL3MBTL1
SCHEMBL15717554 0.72 ALDH1A1 (0.48) ALDH1A1TDP1TYMSMAPTNPC1
SCHEMBL6142337 0.72 RAB9A (0.35) ALDH1A1TDP1MAPTNPC1MAPK1

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