SCHEMBL7370199

SCHEMBL7370199

CCOC(=O)c1cccnc1Oc1cccc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
NPC1 O15118 2/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
ATM Q13315 1/20 0.49
KDM4E B2RXH2 2/20 0.48
F10 P00742 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP2C9 P11712 1/20 0.46

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
SCHEMBL7372704 0.90 NPC1 (0.54) TDP1NPC1POLBLMNAL3MBTL1
SCHEMBL3454518 0.86 POLB (0.61) TDP1NPC1POLBLMNAL3MBTL1
SCHEMBL7366578 0.86 TDP1 (0.50) TDP1NPC1POLBLMNAL3MBTL1
SCHEMBL7369514 0.85 CARM1 (0.52) TDP1NPC1POLBLMNAL3MBTL1
SCHEMBL3454297 0.85 CYP1A2 (0.62) TDP1NPC1POLBL3MBTL1ALDH1A1
SCHEMBL7375948 0.85 KDM4E (0.57) KMT2AKDM4ESMN1; SMN2CYP1A2CYP2C19
SCHEMBL20831533 0.84 TDP1 (0.72) TDP1POLBLMNAL3MBTL1ALDH1A1
SCHEMBL7367524 0.84 ALDH1A1 (0.59) TDP1NPC1POLBLMNAL3MBTL1
SCHEMBL7366824 0.83 TDP1 (0.50) TDP1NPC1L3MBTL1ALDH1A1KMT2A
SCHEMBL7373604 0.83 TDP1 (0.50) TDP1NPC1POLBLMNAL3MBTL1

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