SCHEMBL7366824

SCHEMBL7366824

CCOC(=O)c1cccnc1Oc1cccc(N(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
UGCG Q16739 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
F10 P00742 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL7365841 0.84 F10 (0.52) TDP1ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL2783747 0.84 TDP1 (0.52) TDP1ALDH1A1KMT2AMEN1UGCG
SCHEMBL7370199 0.83 TDP1 (0.52) TDP1ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL3454297 0.83 CYP1A2 (0.62) TDP1ALDH1A1KMT2AL3MBTL1F10
SCHEMBL20831533 0.82 TDP1 (0.72) TDP1ALDH1A1L3MBTL1CYP1A2CYP2C9
SCHEMBL7367524 0.82 ALDH1A1 (0.59) TDP1ALDH1A1KMT2AMEN1MAPT
SCHEMBL7372301 0.81 TDP1 (0.50) TDP1ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL7373604 0.81 TDP1 (0.50) TDP1ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL7366578 0.81 TDP1 (0.50) TDP1ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL7373877 0.81 ELANE (0.53) TDP1ALDH1A1L3MBTL1F10NPC1

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