SCHEMBL7366318

SCHEMBL7366318

CCOC(=O)c1cccnc1Oc1cccc2c(C)noc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.45
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 2/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 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
SCHEMBL7365163 0.86 EDNRA (0.41) L3MBTL1ALDH1A1MAPT
SCHEMBL7369632 0.78 PTGS2 (0.48) L3MBTL1ALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL7367374 0.76 HPGD (0.48) SMN1; SMN2LMNA
SCHEMBL7402420 0.74 NUDT1 (0.50) L3MBTL1ALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL7372299 0.74 AR (0.43)
SCHEMBL1313733 0.73 L3MBTL1 (0.74) L3MBTL1ALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL20831533 0.73 TDP1 (0.72) L3MBTL1ALDH1A1LMNAHTTPOLB
SCHEMBL5669102 0.73 TSHR (0.54) L3MBTL1ALDH1A1HTTMAPTKMT2A
SCHEMBL3454518 0.72 POLB (0.61) L3MBTL1ALDH1A1NPC1LMNAPOLB
SCHEMBL311599 0.72 L3MBTL1 (0.59) L3MBTL1ALDH1A1SMN1; SMN2NPC1LMNA

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