SCHEMBL7368546

SCHEMBL7368546

CC(=O)c1cc(Oc2ncccc2C(=O)O)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
MAPK8 P45983 2/20 0.45
CCR2 P41597 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE10A Q9Y233 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
POLB P06746 1/20 0.43
PPARG P37231 1/20 0.42
ACLY P53396 1/20 0.42

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
SCHEMBL7320114 0.87 RAB9A (0.55) RAB9ATDP1MAPK8CCR2LMNA
SCHEMBL7365849 0.84 CYP1A2 (0.51) RAB9ATDP1SMN1; SMN2ALDH1A1POLB
SCHEMBL2336921 0.81 RAB9A (0.54) RAB9ATDP1MAPK8LMNASMN1; SMN2
SCHEMBL10967902 0.80 SCN9A (0.48) RAB9ATDP1MAPK8PDE10APPARG
SCHEMBL11814538 0.80 TDP1 (0.57) RAB9ATDP1MAPK8PDE10AALDH1A1
SCHEMBL2779334 0.79 RAB9A (0.76) RAB9ATDP1MAPK8LMNASMN1; SMN2
SCHEMBL7374880 0.79 MEN1 (0.63) TDP1MAPK8PDE10AALDH1A1
SCHEMBL2332693 0.79 ALDH1A1 (0.61) RAB9ATDP1MAPK8LMNASMN1; SMN2
SCHEMBL2781858 0.79 TDP1 (0.52) RAB9ATDP1MAPK8LMNAPDE10A
SCHEMBL2335696 0.79 GPBAR1 (0.60) RAB9ATDP1CCR2LMNASMN1; SMN2

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