SCHEMBL7368692

SCHEMBL7368692

O=[N+]([O-])c1cccnc1Oc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
ATM Q13315 1/20 0.58
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
MAPT P10636 8/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NPSR1 Q6W5P4 1/20 0.52
LTA4H P09960 1/20 0.52
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
PIN1 Q13526 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
GFER P55789 1/20 0.44
PDE10A Q9Y233 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
SCHEMBL242653 0.86 KMT2A (0.74) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL10522426 0.84 ALDH1A1 (0.77) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL4911112 0.83 LMNA (0.55) ALDH1A1KMT2AMEN1RAB9ALMNA
SCHEMBL18956877 0.80 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1RAB9ANPC1
Acetic Acid SCHEMBL4766215 0.79 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1RAB9ANPC1
Acetic Acid SCHEMBL4766209 0.79 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL8099661 0.79 MEN1 (0.66) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL25309429 0.79 KMT2A (0.65) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL5025726 0.79 MEN1 (0.65) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL8875848 0.79 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1RAB9ANPC1

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