SCHEMBL8487571

SCHEMBL8487571

O=C(Oc1ccc([N+](=O)[O-])cc1)Oc1cc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
GAA P10253 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
PSMD14 O00487 1/20 0.45
TLR9 Q9NR96 1/20 0.45
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
HPGD P15428 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
SCHEMBL9523638 0.82 MAPT (0.67) ACHEGAAALDH1A1KDM4EMAPT
SCHEMBL120371 0.81 HTR2A (0.49) ACHEGAAALDH1A1KDM4EMAPT
SCHEMBL833353 0.79 ALDH1A1 (0.57) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL6322393 0.77 SMN1; SMN2 (0.64) GAAALDH1A1KDM4EMAPTLMNA
SCHEMBL20377184 0.77 SMN1; SMN2 (0.64) GAAALDH1A1KDM4EMAPTLMNA
SCHEMBL25490125 0.77 MAPT (0.63) GAAALDH1A1KDM4EMAPTMEN1
SCHEMBL26374 0.77 GAA (0.65) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL8789115 0.76 FLT3 (0.50) ALDH1A1KDM4EMAPTMEN1LMNA
Hydrochloric Acid SCHEMBL7895043 0.75 GAA (0.62) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL30068475 0.75 ALDH1A1 (0.52) GAAALDH1A1KDM4EMAPTMEN1

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-5981755-A Tachykinin antagonists WARNER-LAMBERT COMPANY (US) 1999-11-09 US disclosed
US-5856354-A RESPIRATORY SYSTEM DISORDERS, ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL DISORDERS, VISION DEFECTS, ANTIALLERGENS,PAIN, NERVOUS SYSTEM DISORDERS, HEADACHES WARNER-LAMBERT COMPANY (US) 1999-01-05 US disclosed
US-5716979-A NONPEPTIDES, UNIQUE IN ALKYLATION/SUBSTITUTION PATTERN ALONG THEIR BACKBONE, USEFUL FOR TREATING DISORDERS SUCH AS RESPIRATORY, INFLAMMATORY, GASTROINTESTINAL, OPHTHALMIC, ALLERGIES, PAIN, VASCULAR, MIGRANE, ARTHRITIS AND BRAIN WARNER-LAMBERT COMPANY (US) 1998-02-10 US disclosed
US-5594022-A CARBAMATES WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed