SCHEMBL7369632

SCHEMBL7369632

CCOC(=O)c1cccnc1Oc1ccc2onc(C)c2c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.48
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
DRD1 P21728 1/20 0.41
MAPK1 P28482 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
SCHEMBL7372384 0.87 TDP1 (0.44) TDP1ALDH1A1RAB9ALMNADRD1
SCHEMBL4828049 0.80 L3MBTL1 (0.49) TDP1L3MBTL1SMN1; SMN2NPC1ALDH1A1
SCHEMBL7366318 0.78 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL8560540 0.78 GAA (0.62) TDP1L3MBTL1ALDH1A1RAB9ATSHR
SCHEMBL7369514 0.78 CARM1 (0.52) TDP1L3MBTL1SMN1; SMN2NPC1ALDH1A1
SCHEMBL7366446 0.77 TDP1 (0.44) PTGS2TDP1L3MBTL1SMN1; SMN2NPC1
SCHEMBL20831533 0.76 TDP1 (0.72) TDP1L3MBTL1ALDH1A1LMNATSHR
SCHEMBL7684125 0.76 LMNA (0.62) TDP1L3MBTL1SMN1; SMN2NPC1ALDH1A1
SCHEMBL7375134 0.76 TSHR (0.71) TDP1L3MBTL1SMN1; SMN2NPC1ALDH1A1
SCHEMBL7370504 0.76 MAPK8 (0.50) SMN1; SMN2LMNA

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