SCHEMBL7370543

SCHEMBL7370543

OCc1cccnc1Oc1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPP1CA P62136 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
P2RY1 P47900 1/20 0.42
GCK P35557 1/20 0.42
RHEB Q15382 2/20 0.41
EGFR P00533 2/20 0.41

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
SCHEMBL28014857 0.83 KMT2A (0.72) MEN1KMT2AALDH1A1POLBGCK
SCHEMBL2891089 0.82 MEN1 (0.58) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL2885680 0.81 KMT2A (0.73) MEN1KMT2AALDH1A1POLBCYP1A2
SCHEMBL6136758 0.80 PDE4A (0.55) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL7367309 0.77 MEN1 (0.63) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL1552831 0.77 PDE4A (0.46) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL7364733 0.77 EGFR (0.47) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL2332693 0.75 ALDH1A1 (0.61) ALDH1A1POLBGAAP2RY1MAPK8
SCHEMBL7674124 0.75 ALDH1A1 (0.58) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL28421009 0.75 KDM4E (0.47) KMT2AALDH1A1NPSR1NOTUMMAPT

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 4 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
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