SCHEMBL5166077

SCHEMBL5166077

CNc1c(C(=O)N(C)c2ccc(C(F)(F)F)cc2)c(=O)n(C)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.56
▸ PGR P06401 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ SRC P12931 2/20 0.48
▸ SGMS2 Q8NHU3 9/20 0.44
▸ SGMS1 Q86VZ5 5/20 0.42
▸ GPBAR1 Q8TDU6 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KIF11 P52732 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ PTGER4 P35408 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL10677667 0.88 KMT2A (0.71) HDAC4PGRMEN1KMT2ASRC
SCHEMBL5166291 0.85 HDAC4 (0.58) HDAC4PGRMEN1KMT2ASRC
SCHEMBL5164782 0.85 HDAC4 (0.58) HDAC4PGRMEN1KMT2ASRC
SCHEMBL5163615 0.85 HDAC4 (0.58) HDAC4PGRMEN1KMT2ASRC
SCHEMBL10674517 0.77 MEN1 (0.68) PGRMEN1KMT2ASRCALDH1A1
SCHEMBL10677325 0.76 MEN1 (0.49) PGRMEN1KMT2ASRCALDH1A1
SCHEMBL10670287 0.76 MEN1 (0.78) HDAC4PGRMEN1KMT2ASRC
SCHEMBL10671773 0.75 MEN1 (0.54) PGRMEN1KMT2ASRC
SCHEMBL14376051 0.75 HDAC4 (0.78) HDAC4PGRMEN1KMT2ASRC
SCHEMBL10671530 0.74 MEN1 (0.55) HDAC4PGRMEN1KMT2ASRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224172-B1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS ACTIVE BIOTECH AB (SE) 2007-04-04 — — 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
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