SCHEMBL7364675

SCHEMBL7364675

COC(=O)c1cccc(Oc2ncccc2C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.65
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MET P08581 1/20 0.48
ALK Q9UM73 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.48
KDM6B O15054 1/20 0.48
KDM5C P41229 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KDM2A Q9Y2K7 1/20 0.48
KDM3A Q9Y4C1 1/20 0.48
MAPK8 P45983 2/20 0.47
P2RY1 P47900 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 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
SCHEMBL7311036 0.89 TDP1 (0.60) TDP1ALDH1A1L3MBTL1METALK
SCHEMBL7374880 0.87 MEN1 (0.63) TDP1ALDH1A1ALKMEN1KMT2A
SCHEMBL7367341 0.84 TDP1 (0.61) TDP1ALDH1A1L3MBTL1PKMMAPK1
SCHEMBL7374241 0.84 TDP1 (0.59) TDP1ALDH1A1MEN1KMT2APKM
SCHEMBL11817561 0.82 TDP1 (0.46) TDP1ALDH1A1L3MBTL1METALK
SCHEMBL6457966 0.81 TDP1 (0.56) TDP1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL6798334 0.79 MEN1 (0.72) ALDH1A1L3MBTL1METALKMEN1
SCHEMBL20818012 0.79 TDP1 (1.00) TDP1ALDH1A1KMT2AHTTKDM4E
SCHEMBL7312518 0.79 RAB9A (0.59) TDP1ALDH1A1KDM4EF10
SCHEMBL861902 0.79 TDP1 (0.71) TDP1ALDH1A1L3MBTL1MEN1KMT2A

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