SCHEMBL7364476

SCHEMBL7364476

CCOC(=O)C1CCC(CNC(=O)c2cccnc2Oc2cccc(C(N)=O)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPK8 P45983 2/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
AURKA O14965 1/20 0.40
LCK P06239 1/20 0.40
MET P08581 1/20 0.40
KDR P35968 1/20 0.40
TEK Q02763 1/20 0.40
AURKB Q96GD4 1/20 0.40
PDE6D O43924 1/20 0.40
PDE6A P16499 1/20 0.40
PDE6G P18545 1/20 0.40
PDE6B P35913 1/20 0.40
PDE6C P51160 1/20 0.40
PDE6H Q13956 1/20 0.40
GNRHR P30968 1/20 0.40

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
SCHEMBL7371026 0.92 POLB (0.47) PARP10POLBALDH1A1GAAMAPK8
SCHEMBL7674925 0.89 HPGD (0.52) POLBALDH1A1GAAMAPK8HPGD
SCHEMBL7683603 0.88 POLB (0.54) POLBALDH1A1GAAMAPK8HPGD
SCHEMBL7362102 0.85 POLB (0.46) POLBGAAMAPK8HPGDKMT2A
SCHEMBL7405218 0.79 MAPK8 (0.47) POLBALDH1A1MAPK8CYP2C19
SCHEMBL7405222 0.79 MAPK8 (0.47) POLBALDH1A1MAPK8CYP2C19
SCHEMBL7370609 0.77 MEN1 (0.44) ALDH1A1GAAMAPK8KMT2AAURKA
SCHEMBL7680392 0.77 MEN1 (0.43) ALDH1A1GAAMAPK8KMT2AAURKA
SCHEMBL7368357 0.77 MEN1 (0.43) ALDH1A1GAAMAPK8KMT2AAURKA
SCHEMBL7679786 0.75 KMT2A (0.50) GAAMAPK8KMT2A

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