SCHEMBL29211172

SCHEMBL29211172

NNc1ccccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.49
MAX P61244 1/20 0.49
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTR7 P34969 1/20 0.46
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDR P35968 1/20 0.44
SCN2A Q99250 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CYP1A2 P05177 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
SCHEMBL9282551 0.83 ALDH1A1 (0.52) MYCMAXALDH1A1MEN1KMT2A
SCHEMBL28240316 0.79 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AHTR7LMNA
SCHEMBL27571357 0.79 ALDH1A1 (0.42) MYCMAXALDH1A1MEN1KMT2A
SCHEMBL17289272 0.79 ALDH1A1 (0.59) MYCMAXALDH1A1MEN1KMT2A
SCHEMBL17796945 0.79 ALDH1A1 (0.59) MYCMAXALDH1A1MEN1KMT2A
SCHEMBL11612279 0.78 ALDH1A1 (0.54) MYCMAXALDH1A1MEN1KMT2A
SCHEMBL9306130 0.78 MEN1 (0.66) MYCMAXALDH1A1MEN1KMT2A
SCHEMBL16107854 0.77 L3MBTL1 (0.64) MYCMAXALDH1A1MEN1KMT2A
SCHEMBL3010864 0.77 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AHTR7LMNA
SCHEMBL28001315 0.77 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AHTR7LMNA

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 3 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