SCHEMBL7399550

SCHEMBL7399550

O=C(CCc1ccccc1Cl)c1cccnc1Oc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.57
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL7369624 0.84 KMT2A (0.57) MAPK8KMT2AALDH1A1
SCHEMBL7677512 0.83 KMT2A (0.53) MAPK8KMT2AALDH1A1RAB9APDE4A
SCHEMBL7368289 0.82 KMT2A (0.52) MAPK8KMT2AALDH1A1RAB9APOLB
SCHEMBL7367823 0.81 MAPK8 (0.83) MAPK8KMT2AALDH1A1
SCHEMBL7368595 0.81 KMT2A (0.50) MAPK8KMT2AALDH1A1RAB9APDE4A
SCHEMBL7405328 0.80 MAPK8 (0.55) MAPK8KMT2AALDH1A1RAB9APDE4A
SCHEMBL7368614 0.80 KMT2A (0.49) KMT2AALDH1A1RAB9APDE4APDE4B
SCHEMBL7400057 0.80 KMT2A (0.49) MAPK8KMT2APDE4APDE4BPDE4C
SCHEMBL29125555 0.78 KMT2A (0.60) KMT2AALDH1A1RAB9APDE4APDE4B
SCHEMBL29719568 0.78 KMT2A (0.60) KMT2AALDH1A1RAB9APDE4APDE4B

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