SCHEMBL7684313

SCHEMBL7684313

O=C(CCc1ccc(OC(F)(F)F)cc1)c1cccnc1Oc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.44
ROCK2 O75116 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
KDR P35968 1/20 0.42
DHODH Q02127 1/20 0.42

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 0.92 KMT2A (0.53) KMT2AALDH1A1PDE4APDE4BPDE4C
SCHEMBL7372342 0.90 PDE10A (0.48) KMT2AALDH1A1
SCHEMBL7400057 0.88 KMT2A (0.49) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL7369624 0.88 KMT2A (0.57) KMT2AALDH1A1
SCHEMBL7368595 0.84 KMT2A (0.50) KMT2AALDH1A1PDE4APDE4BPDE4C
SCHEMBL7402170 0.82 KMT2A (0.48) KMT2AALDH1A1
SCHEMBL7368614 0.79 KMT2A (0.49) KMT2AALDH1A1PDE4APDE4BPDE4C
SCHEMBL7399550 0.77 MAPK8 (0.57) KMT2AALDH1A1PDE4APDE4BPDE4C
SCHEMBL7374580 0.76 KMT2A (0.43) KMT2AROCK2PDE4APDE4BPDE4C
SCHEMBL5529298 0.76 RAB9A (0.68) ALDH1A1ROCK2DHODH

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