SCHEMBL7366445

SCHEMBL7366445

CC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.55
HPGD P15428 3/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL7370502 0.88 MAPK8 (0.62) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL7373017 0.86 MAPK8 (0.60) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL7366732 0.86 HPGD (0.61) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL7403963 0.85 MAPK8 (0.59) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL7372559 0.84 MAPK8 (0.58) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL7370868 0.84 MAPK8 (0.58) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL7376133 0.84 MAPK8 (0.57) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL7677451 0.84 MAPK8 (0.57) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL7399781 0.84 MAPK8 (0.57) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL7367899 0.84 MAPK8 (0.57) MAPK8HPGDKMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1254335-A Nicotinamide derivatives PFIZER PROD INC (US) 2000-05-24 CN claimed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP claimed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO claimed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
CN-1254335-A Nicotinamide derivatives PFIZER PROD INC (US) 2000-05-24 CN disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO disclosed