SCHEMBL9517067

SCHEMBL9517067

C=C(N)c1ncc([N+](=O)[O-])[nH]1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL22668449 0.82 CYP1A2 (0.32)
SCHEMBL9762556 0.71
SCHEMBL29793430 0.70 ALDH1A1 (0.37) ALDH1A1HPGDALOX15MAPT
SCHEMBL12441774 0.70 MAPT (0.35) ALDH1A1HPGDALOX15MAPT
SCHEMBL31074740 0.69 ALDH1A1 (0.43) ALDH1A1HPGDMAPT
SCHEMBL1187005 0.69
SCHEMBL11617678 0.68 ALDH1A1 (0.34) ALDH1A1MAPT
SCHEMBL11825958 0.67
SCHEMBL3187131 0.67
SCHEMBL3188625 0.67

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
EP-0430001-B1 Process for preparing benzaldehydes BAYER AG (DE) 1993-12-22 EP disclosed
US-5082976-A PROCESS FOR THE PREPARATION OF BENZALDEHYDES BAYER AKTIENGESELLSCHAFT (DE) 1992-01-21 US disclosed