SCHEMBL7365841

SCHEMBL7365841

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.52
TDP1 Q9NUW8 1/20 0.48
F2 P00734 1/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 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
SCHEMBL7367524 0.87 ALDH1A1 (0.59) F10TDP1F2ALDH1A1NPC1
SCHEMBL7366824 0.84 TDP1 (0.50) F10TDP1ALDH1A1NPC1RAB9A
SCHEMBL7320350 0.84 RAB9A (0.54) F10F2RAB9AHTTMEN1
SCHEMBL7370199 0.81 TDP1 (0.52) F10TDP1ALDH1A1NPC1RAB9A
SCHEMBL3454297 0.81 CYP1A2 (0.62) F10TDP1ALDH1A1NPC1RAB9A
SCHEMBL7373877 0.81 ELANE (0.53) F10TDP1ALDH1A1NPC1RAB9A
SCHEMBL20831533 0.81 TDP1 (0.72) TDP1ALDH1A1HTTCYP1A2CYP2C9
SCHEMBL7372301 0.80 TDP1 (0.50) F10TDP1ALDH1A1NPC1RAB9A
SCHEMBL7373604 0.80 TDP1 (0.50) F10TDP1ALDH1A1NPC1RAB9A
SCHEMBL7366578 0.80 TDP1 (0.50) F10TDP1ALDH1A1NPC1RAB9A

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