SCHEMBL7368626

SCHEMBL7368626

O=C(c1cccnc1F)c1coc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.49
SIRT1 Q96EB6 2/20 0.45
MAOB P27338 10/20 0.44
HTR2C P28335 1/20 0.42
SLC27A1 Q6PCB7 1/20 0.41
ADORA2B P29275 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
IDO1 P14902 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOA P21397 3/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8761733 0.81 MAOB (0.61) SIRT1MAOBADORA2BRAB9ANPC1
SCHEMBL27612856 0.79 NAPRT (0.73) NAPRTTP53MAPTALOX15KMT2A
SCHEMBL31314554 0.74 MAOB (0.50) SIRT1MAOBADORA2BRAB9ANPC1
SCHEMBL28245010 0.74 MAOB (0.52) SIRT1MAOBADORA2BRAB9ANPC1
SCHEMBL11856874 0.73 KMT2A (0.50) SIRT1MAOBADORA2BRAB9ANPC1
SCHEMBL5653339 0.72 NAPRT (0.67) NAPRTRAB9ANPC1MAPTALOX15
SCHEMBL6345667 0.72 KMT2A (0.61) SIRT1MAOBADORA2BRAB9ANPC1
SCHEMBL7370739 0.71 GPR84 (0.66) NAPRTRAB9ANPC1TP53MAPT
SCHEMBL70456 0.69 MAOB (0.76) MAOBADORA2BRAB9ANPC1TP53
SCHEMBL11734978 0.69 MAOB (0.48) SIRT1MAOBADORA2BRAB9AMAPT

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