SCHEMBL7369449

SCHEMBL7369449

O=C(NCc1ccccn1)c1cccnc1Oc1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.63
POLB P06746 1/20 0.57
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
MAPK14 Q16539 1/20 0.55
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL7366565 0.86 MAPK8 (0.73) MAPK8ALDH1A1HPGDLMNA
SCHEMBL7365304 0.83 MAPK8 (0.57) MAPK8ALDH1A1
SCHEMBL7368665 0.83 LMNA (0.67) MAPK8ALDH1A1HPGDLMNA
SCHEMBL7363107 0.83 MAPK8 (0.83) MAPK8ALDH1A1HTT
SCHEMBL7369138 0.83 MAPK8 (0.69) MAPK8ALDH1A1HPGDLMNA
SCHEMBL7370313 0.82 MAPK8 (0.67) MAPK8
SCHEMBL7364353 0.82 HPGD (0.68) MAPK8HPGDLMNA
SCHEMBL7363366 0.81 MAPK8 (0.55) MAPK8ALDH1A1LMNA
SCHEMBL7371999 0.81 MAPK8 (0.55) MAPK8POLBALDH1A1
SCHEMBL7371879 0.81 MAPK8 (0.55) MAPK8ALDH1A1

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