SCHEMBL7366578

SCHEMBL7366578

CCOC(=O)c1cccnc1Oc1cccc(OC(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
F10 P00742 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
P2RY1 P47900 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 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
SCHEMBL7375948 0.87 KDM4E (0.57) SMN1; SMN2P2RY1KMT2ACYP1A2CYP2C9
SCHEMBL7370199 0.86 TDP1 (0.52) TDP1L3MBTL1F10ALDH1A1NPC1
SCHEMBL7698904 0.84 TDP1 (0.46) TDP1L3MBTL1F10ALDH1A1NPC1
SCHEMBL7372993 0.84 TDP1 (0.52) TDP1ALDH1A1P2RY1KMT2APOLB
SCHEMBL3454297 0.83 CYP1A2 (0.62) TDP1L3MBTL1F10ALDH1A1NPC1
SCHEMBL5518570 0.83 RAB9A (0.56) TDP1F10ALDH1A1RAB9AP2RY1
SCHEMBL20831533 0.82 TDP1 (0.72) TDP1L3MBTL1ALDH1A1LMNAPOLB
SCHEMBL7367524 0.82 ALDH1A1 (0.59) TDP1MAPTL3MBTL1F10ALDH1A1
SCHEMBL7366824 0.81 TDP1 (0.50) TDP1MAPTL3MBTL1F10ALDH1A1
SCHEMBL7373604 0.81 TDP1 (0.50) TDP1MAPTL3MBTL1F10ALDH1A1

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