SCHEMBL7368614

SCHEMBL7368614

O=C(CCc1c(F)cc(F)cc1F)c1cccnc1Oc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
P2RY1 P47900 1/20 0.44
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL7368595 0.87 KMT2A (0.50) KMT2AALDH1A1PDE4APDE4BPDE4C
SCHEMBL7677512 0.85 KMT2A (0.53) KMT2AALDH1A1PDE4APDE4BPDE4C
SCHEMBL7369624 0.83 KMT2A (0.57) KMT2AALDH1A1
SCHEMBL7400057 0.81 KMT2A (0.49) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL7369712 0.81 MAPK8 (0.59) KMT2A
SCHEMBL7372342 0.80 PDE10A (0.48) KMT2AALDH1A1KDM4EMEN1CYP1A2
SCHEMBL7399550 0.80 MAPK8 (0.57) KMT2AALDH1A1PDE4APDE4BPDE4C
SCHEMBL27512619 0.79 KMT2A (0.56) KMT2AALDH1A1PDE4APDE4BPDE4C
SCHEMBL7684313 0.79 KMT2A (0.47) KMT2AALDH1A1PDE4APDE4BPDE4C
SCHEMBL29719568 0.77 KMT2A (0.60) KMT2AALDH1A1PDE4APDE4BPDE4C

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