SCHEMBL7400057

SCHEMBL7400057

COc1ccc(CCC(=O)c2cccnc2Oc2ccc(F)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
MAPK8 P45983 1/20 0.48
THRB P10828 1/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL7677512 0.95 KMT2A (0.53) KMT2AMAPK8PDE4APDE4BPDE4C
SCHEMBL7369624 0.91 KMT2A (0.57) KMT2AMAPK8TDP1
SCHEMBL7372342 0.89 PDE10A (0.48) KMT2A
SCHEMBL7684313 0.88 KMT2A (0.47) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL7368595 0.87 KMT2A (0.50) KMT2AMAPK8PDE4APDE4BPDE4C
SCHEMBL7402170 0.85 KMT2A (0.48) KMT2AMAPK8
SCHEMBL7371446 0.82 LMNA (0.72) KMT2AMAPK8LMNAHPGDSMN1; SMN2
SCHEMBL7368614 0.81 KMT2A (0.49) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL27512619 0.81 KMT2A (0.56) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL7399550 0.80 MAPK8 (0.57) KMT2AMAPK8PDE4APDE4BPDE4C

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