SCHEMBL7680876

SCHEMBL7680876

CC(CO)c1ccc(CNC(=O)c2cccnc2Oc2cccc(C#N)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.54
HPGD P15428 3/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER2 P43116 1/20 0.46
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45

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
SCHEMBL7370447 0.84 MAPK8 (0.56) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL7370567 0.82 MAPK8 (0.56) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL7373102 0.80 MAPK8 (0.53) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL5608301 0.80 PDE4A (0.48) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL6579096 0.80 ALDH1A1 (0.50) MAPK8PTGER4PTGER2ADRA2AADRA2B
SCHEMBL7365059 0.78 MAPK8 (0.58) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL7374630 0.78 MAPK8 (0.58) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL7365065 0.78 MAPK8 (0.58) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL7370275 0.78 MAPK8 (0.49) MAPK8HPGDKMT2AADRA2AADRA2B
SCHEMBL7365372 0.77 MAPK8 (0.74) MAPK8KMT2AADRA2AADRA2BADRA2C

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 1 patent. 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