Sugi Predict

Sugi Predict / Compounds / SCHEMBL7775829

SCHEMBL7775829

SCHEMBL7775829

NC(N)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.58
▸ ALDH1A1 P00352 6/20 0.51
▸ TSHR P16473 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.48
▸ TDP1 Q9NUW8 4/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ GPR35 Q9HC97 1/20 0.45
▸ PLAU P00749 1/20 0.44
▸ PTPRC P08575 1/20 0.44
▸ S100A4 P26447 1/20 0.44
▸ PDE7A Q13946 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CTSD P07339 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41

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
SCHEMBL9265199 0.88 CYP1A2 (0.54) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL18912100 0.87 CYP1A2 (0.53) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL14436535 0.83 CYP1A2 (0.54) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL30100732 0.83 ALDH1A1 (0.53) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL16011382 0.83 ALDH1A1 (0.53) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL888030 0.83 ALDH1A1 (0.53) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL31134288 0.83 ALDH1A1 (0.53) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL30487743 0.83 ALDH1A1 (0.53) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL12232403 0.83 CYP1A2 (0.54) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL27859392 0.83 CYP1A2 (0.50) CYP1A2ALDH1A1TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020099596-A1 NOVEL PATHWAY FOR THE SYNTHESIS OF DIAZIRINES, THAT MAY OR MAY NOT BE ENRICHED IN NITROGEN-15 UNIVERSITE DE ROUEN NORMANDIE (FR) 2020-05-22 — — WO disclosed
CN-1918139-A Cinnamic amides, process for their preparation, and pharmaceutical compositions containing them ACTIVE BIOTECH AB (SE) 2007-02-21 — — CN disclosed
CN-1163486-C Guanidinylamino heterocycle compounds useful as alpha-2 adrenoceptor agonists ���޿��غ͸ʱ�����˾ 2004-08-25 — — CN disclosed
CN-1104422-C Guanidinyl heterocycle compounds useful as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 2003-04-02 — — CN disclosed
CN-1076352-C 5- (2-imidazolinylamino) benzimidazole derivatives, their preparation and their use as alpha-adrenoceptor agonists PROCTER & GAMBLE (US) 2001-12-19 — — CN disclosed
EP-1121331-A1 MICROBIOLOGICAL METHOD FOR ELIMINATING A NITROAROMATIC COMPOUND Commissariat à l'Energie Atomique (FR) 2001-08-08 — — EP 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
WO-2000018693-A1 MICROBIOLOGICAL METHOD FOR ELIMINATING A NITROAROMATIC COMPOUND COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2000-04-06 — — WO disclosed
CN-1242001-A Guanidinylamino heterocyclic compounds as alpha-2 adrenergic receptor agonists PROCTER & GAMBLE (US) 2000-01-19 — — CN disclosed
CN-1137794-A 5-(2-imidazolinylamino) benzimidazole derivatives, their preparation and their use as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 1996-12-11 — — CN disclosed
EP-0455545-A1 Process for the preparation of mono- or polyalkoxylated aromatic compounds RHONE-POULENC CHIMIE (FR) 1991-11-06 — — EP disclosed