SCHEMBL7369907

SCHEMBL7369907

O=C(NCc1ccc(C(F)(F)F)s1)c1cccnc1Oc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.52
ALDH1A1 P00352 1/20 0.45
NPC1 O15118 1/20 0.43
TNF P01375 1/20 0.43
RAB9A P51151 1/20 0.43
NOD1 Q9Y239 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL7371487 0.89 MAPK8 (0.51) MAPK8ALDH1A1
SCHEMBL7363366 0.87 MAPK8 (0.55) MAPK8ALDH1A1
SCHEMBL7371999 0.85 MAPK8 (0.55) MAPK8ALDH1A1
SCHEMBL7371879 0.85 MAPK8 (0.55) MAPK8ALDH1A1
SCHEMBL7365801 0.83 MAPK8 (0.53) MAPK8ALDH1A1
SCHEMBL7364103 0.82 MAPK8 (0.51) MAPK8ALDH1A1
SCHEMBL7454933 0.79 MAPK8 (0.48) MAPK8ALDH1A1
SCHEMBL7369871 0.79 MAPK8 (0.61) MAPK8
SCHEMBL7369449 0.79 MAPK8 (0.63) MAPK8ALDH1A1
SCHEMBL7366565 0.79 MAPK8 (0.73) MAPK8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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