SCHEMBL5163934

SCHEMBL5163934

CNc1cccc(N(C)C)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ GAA P10253 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ LPAR2 Q9HBW0 1/20 0.38
▸ LPAR3 Q9UBY5 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ FABP4 P15090 1/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA7 P43166 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ MASP2 O00187 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
SCHEMBL5167489 0.83 KDM4E (0.50) KCNQ2MAPTGAAALDH1A1TSHR
SCHEMBL2026957 0.76 PBRM1 (0.49) MAPTALDH1A1KDM4EPOLBATM
SCHEMBL5317324 0.76 ALDH1A1 (0.53) MAPTGAAALDH1A1TSHRTP53
SCHEMBL8793059 0.76 TDP1 (0.49) MAPTGAAALDH1A1TSHRTP53
SCHEMBL16318050 0.76 KDM4E (0.54) GAAALDH1A1KDM4ELPAR2LPAR3
SCHEMBL15966044 0.74 F2 (0.37) KCNQ2MAPTGAAALDH1A1TSHR
SCHEMBL15427423 0.74 PLK1 (0.49) SMN1; SMN2
SCHEMBL22904381 0.74 FABP4 (0.41) MAPTALDH1A1KDM4ELPAR2LPAR3
SCHEMBL2744206 0.74 PBRM1 (0.60) MAPTALDH1A1TSHRKDM4EFABP4
SCHEMBL11157305 0.74 ALDH1A1 (0.47) KCNQ2MAPTGAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100390148-C Method for the treatment of malignant tumours ACTIVE BIOTECH AB (SE) 2008-05-28 — — CN disclosed
EP-1224172-B1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS ACTIVE BIOTECH AB (SE) 2007-04-04 — — EP disclosed
CN-1589264-A Method for the treatment of malignant tumours ACTIVE BIOTECH AB (SE) 2005-03-02 — — CN disclosed
US-6605616-B1 Autoimmune diseases; inflammation ACTIVE BIOTECH AB (SE) 2003-08-12 — — US disclosed
EP-1224172-A1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS Active Biotech AB (SE) 2002-07-24 — — EP disclosed
US-6395750-B1 Includes laquinimod, N-ethyl-N-phenyl-1,2-dihydro-4-hydroxy-5-chloro-1-methyl-2-oxo-quinoline-3-carboxamide and its salts; breat or prostate cancer ACTIVE BIOTECH AB (SE) 2002-05-28 — — US disclosed
WO-2001030758-A1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS ACTIVE BIOTECH AB (SE) 2001-05-03 — — WO disclosed
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