SCHEMBL7224951

SCHEMBL7224951

NC1(N)C=CC(c2ccccc2)=CC1([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
FBP1 P09467 1/20 0.31
ABCC1 P33527 2/20 0.30
ABCB1 P08183 1/20 0.30

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
SCHEMBL27762954 0.80 ALDH1A1 (0.32) ALDH1A1TDP1LMNA
SCHEMBL2465711 0.74 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL28990086 0.70 KDM1A (0.33) LMNA
SCHEMBL28750490 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28855084 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5860254 0.69 KDM1A (0.31) ALDH1A1
SCHEMBL18760116 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL14322367 0.69 HDAC1 (0.33) ALDH1A1
SCHEMBL28022362 0.69 KCNA4 (0.33) ALDH1A1TDP1LMNACRHBPCRHR2
Ammonia Solution, Strong SCHEMBL8509907 0.68 HDAC1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307415-A Synthesis method of 3,3' -diaminobenzidine 大连新阳光材料科技有限公司 2024-07-09 CN disclosed
US-6627377-B1 Soluble in organic solvents, which excels in adhesiveness, heat resistance, mechanical properties and flexibility, which shows properties of alkali-soluble highly sensitive positive-type photoresist PI R&D CO., LTD. (JP) 2003-09-30 US disclosed