SCHEMBL1998053

SCHEMBL1998053

O=C1N=c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2=NC1=O.[NaH].[NaH]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.43
TSHR P16473 4/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 2/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
HPGD P15428 1/20 0.43
GRIK1 P39086 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
GRIA4 P48058 1/20 0.43
BLM P54132 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIK2 Q13002 1/20 0.43
GRIK3 Q13003 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 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
SCHEMBL157744 0.98 CYP3A4 (0.45) CYP3A4TSHRMAPTLMNACYP1A2
SCHEMBL30389963 0.95 CYP3A4 (0.43) CYP3A4TSHRMAPTLMNACYP1A2
SCHEMBL4367926 0.84 CYP3A4 (0.45) CYP3A4TSHRMAPTLMNACYP1A2
SCHEMBL626564 0.82 MAPT (0.51) CYP3A4MAPTCYP1A2GRIN2DGRIN3B
SCHEMBL159009 0.79 MAPT (0.53) CYP3A4MAPTCYP1A2GRIN2DGRIN3B
SCHEMBL30456072 0.78 MAPT (0.51) CYP3A4MAPTCYP1A2GRIN2DGRIN3B
Water SCHEMBL30261034 0.78 MAPT (0.51) CYP3A4MAPTCYP1A2GRIN2DGRIN3B
SCHEMBL1269876 0.72 ALDH1A1 (0.42) CYP3A4TSHRMAPTCYP1A2HPGD
SCHEMBL7344459 0.72 MAPK1 (0.39) TSHRMAPTLMNAALDH1A1MAPK1
SCHEMBL1827793 0.72 TSHR (0.44) CYP3A4TSHRMAPTLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12005185-B2 Medical counter measures including dry powder formulations and associated methods Belhaven BioPharma Inc. (US) 2024-06-11 US disclosed
US-20230191047-A1 MEDICAL COUNTER MEASURES INCLUDING DRY POWDER FORMULATIONS AND ASSOCIATED METHODS Belhaven BioPharma Inc. (US) 2023-06-22 US disclosed
WO-2023114462-A1 MEDICAL COUNTER MEASURES INCLUDING DRY POWDER FORMULATIONS AND ASSOCIATED METHODS Belhaven BioPharma Inc. (US) 2023-06-22 WO disclosed
EP-2338492-A1 Methods and compositions for the treatment of alzheimer Universidad del Pais Vasco (ES) 2011-06-29 EP disclosed