SCHEMBL5499425

SCHEMBL5499425

NN(c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
CRHBP P24387 3/20 0.71
CRHR2 Q13324 3/20 0.71
L3MBTL1 Q9Y468 3/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
ATM Q13315 1/20 0.71
TLR9 Q9NR96 1/20 0.71
LMNA P02545 1/20 0.58
MAPK1 P28482 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
TNNI3 P19429 1/20 0.50
TNNT2 P45379 1/20 0.50
RAB9A P51151 1/20 0.50
TNNC1 P63316 1/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL7918843 0.92 ALDH1A1 (0.57) ALDH1A1CRHBPCRHR2L3MBTL1MEN1
SCHEMBL3853529 0.83 ALDH1A1 (1.00) ALDH1A1CRHBPCRHR2L3MBTL1MEN1
SCHEMBL17817838 0.83 ALDH1A1 (1.00) ALDH1A1CRHBPCRHR2L3MBTL1MEN1
SCHEMBL1039452 0.83 ALDH1A1 (1.00) ALDH1A1CRHBPCRHR2L3MBTL1MEN1
SCHEMBL27732618 0.81 ALDH1A1 (0.96) ALDH1A1CRHBPCRHR2L3MBTL1MEN1
SCHEMBL5842574 0.80 ALDH1A1 (0.71) ALDH1A1CRHBPCRHR2L3MBTL1MEN1
SCHEMBL10658138 0.80 ALDH1A1 (0.71) ALDH1A1CRHBPCRHR2L3MBTL1MEN1
SCHEMBL14798438 0.80 ALDH1A1 (0.71) ALDH1A1CRHBPCRHR2L3MBTL1MEN1
SCHEMBL27434423 0.79 ALDH1A1 (0.57) ALDH1A1CRHBPCRHR2L3MBTL1MEN1
SCHEMBL7638118 0.78 ALDH1A1 (0.89) ALDH1A1CRHBPCRHR2L3MBTL1MEN1

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
CN-115124441-B Preparation method of No Bo Suan hydrazide compound, product and application thereof 南京林业大学 2024-04-02 CN claimed
CN-114923857-A Pan-gas optical detection chip and preparation method thereof 东南大学 2022-08-19 CN claimed
CN-115124441-B Preparation method of No Bo Suan hydrazide compound, product and application thereof 南京林业大学 2024-04-02 CN disclosed
EP-1765592-A1 METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR Agfa Graphics N.V. (BE) 2007-03-28 EP disclosed
WO-2006005688-A1 METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR. AGFA-GEVAERT (BE) 2006-01-19 WO disclosed