SCHEMBL7368904

SCHEMBL7368904

Nc1cccnc1Oc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
FEN1 P39748 1/20 0.47
MAP4K4 O95819 2/20 0.47
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
CYP19A1 P11511 2/20 0.44
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
LTA4H P09960 3/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL243134 0.83 ALDH1A1 (0.53) TDP1FEN1ALDH1A1LTA4H
SCHEMBL14354842 0.80 ALDH1A1 (0.41) LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL4907190 0.80 LMNA (0.50) LMNATDP1FEN1MAP4K4CYP11B1
SCHEMBL15923259 0.79 LMNA (0.52) LMNATDP1FEN1MAP4K4CYP11B1
SCHEMBL993054 0.78 LMNA (0.47) LMNATDP1FEN1MAP4K4CYP11B1
SCHEMBL11478665 0.76 LMNA (0.53) LMNATDP1MAP4K4CYP11B1CYP11B2
SCHEMBL676142 0.76 LMNA (0.82) LMNATDP1MAP4K4CYP11B1CYP11B2
SCHEMBL30535283 0.76 LMNA (0.82) LMNATDP1MAP4K4CYP11B1CYP11B2
SCHEMBL14030952 0.76 DGAT2 (0.39) FEN1CHRNB2CHRNA4
SCHEMBL14005471 0.76 P2RY1 (0.36) LMNAFEN1HTT

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