SCHEMBL851191

SCHEMBL851191

N#Cc1ccc(Oc2ncccc2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 1/20 0.51
PDE10A Q9Y233 3/20 0.50
GAA P10253 1/20 0.47
MAPK8 P45983 1/20 0.47
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
CYP19A1 P11511 1/20 0.47
ROCK2 O75116 1/20 0.46
KMT2A Q03164 1/20 0.45

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
SCHEMBL5362007 0.85 HCRTR1 (0.49) TDP1ALDH1A1GAAMAPK8HCRTR1
SCHEMBL7366718 0.85 TDP1 (0.71) TDP1ALDH1A1RAB9AGAAMAPK8
SCHEMBL861902 0.83 TDP1 (0.71) TDP1ALDH1A1RAB9APDE10AGAA
SCHEMBL11810048 0.82 PDE10A (0.60) TDP1ALDH1A1RAB9APDE10AGAA
SCHEMBL850967 0.82 ELANE (0.53) TDP1ALDH1A1GAAHCRTR1HCRTR2
SCHEMBL2779334 0.81 RAB9A (0.76) TDP1ALDH1A1RAB9APDE10AGAA
SCHEMBL2779361 0.81 KMT2A (0.65) TDP1ALDH1A1RAB9APDE10AGAA
SCHEMBL1797073 0.81 TDP1 (0.56) TDP1ALDH1A1RAB9APDE10AGAA
SCHEMBL6457226 0.81 TDP1 (0.64) TDP1ALDH1A1RAB9APDE10AGAA
SCHEMBL2781160 0.81 GAA (0.67) TDP1ALDH1A1RAB9APDE10AGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 WO disclosed
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
US-4085111-A ANTIALLERGENS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) 1978-04-18 US disclosed