SCHEMBL7366446

SCHEMBL7366446

CCOC(=O)c1cccnc1Oc1ccc2ncoc2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
PTGS2 P35354 1/20 0.42
MAPK1 P28482 2/20 0.42
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL7373289 0.84 PDE10A (0.46) TDP1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4828049 0.83 L3MBTL1 (0.49) TDP1L3MBTL1SMN1; SMN2ALDH1A1NPC1
SCHEMBL4828046 0.80 GAA (0.55) TDP1L3MBTL1SMN1; SMN2ALDH1A1NPC1
SCHEMBL8560540 0.79 GAA (0.62) TDP1L3MBTL1ALDH1A1RAB9ATSHR
SCHEMBL7369514 0.78 CARM1 (0.52) TDP1L3MBTL1SMN1; SMN2ALDH1A1NPC1
SCHEMBL7373185 0.78 TDP1 (0.44) TDP1L3MBTL1SMN1; SMN2ALDH1A1NPC1
SCHEMBL7369632 0.77 PTGS2 (0.48) TDP1L3MBTL1SMN1; SMN2ALDH1A1NPC1
SCHEMBL7365621 0.77 NPC1 (0.58) TDP1L3MBTL1SMN1; SMN2ALDH1A1NPC1
SCHEMBL20831533 0.77 TDP1 (0.72) TDP1L3MBTL1ALDH1A1LMNATSHR
SCHEMBL7375134 0.77 TSHR (0.71) TDP1L3MBTL1SMN1; SMN2ALDH1A1NPC1

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