SCHEMBL7369624

SCHEMBL7369624

O=C(CCc1ccccc1)c1cccnc1Oc1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 1/20 0.54
MAPK8 P45983 1/20 0.53
TDP1 Q9NUW8 1/20 0.49

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) KMT2AALDH1A1MAPK8
SCHEMBL7400057 0.91 KMT2A (0.49) KMT2AMAPK8TDP1
SCHEMBL7368595 0.89 KMT2A (0.50) KMT2AALDH1A1MAPK8
SCHEMBL7372342 0.89 PDE10A (0.48) KMT2AALDH1A1
SCHEMBL7371142 0.88 KMT2A (0.59) KMT2AALDH1A1MAPK8TDP1
SCHEMBL7684313 0.88 KMT2A (0.47) KMT2AALDH1A1
SCHEMBL7402170 0.85 KMT2A (0.48) KMT2AALDH1A1MAPK8
SCHEMBL7399550 0.84 MAPK8 (0.57) KMT2AALDH1A1MAPK8
SCHEMBL7368614 0.83 KMT2A (0.49) KMT2AALDH1A1
SCHEMBL7368640 0.83 ALDH1A1 (0.54) ALDH1A1MAPK8TDP1

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