SCHEMBL5166291

SCHEMBL5166291

CN(C(=O)c1c(Cl)c2ccccc2n(C)c1=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ PGR P06401 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ SRC P12931 2/20 0.50
▸ GPBAR1 Q8TDU6 2/20 0.46
▸ SGMS2 Q8NHU3 8/20 0.46
▸ SGMS1 Q86VZ5 4/20 0.44
▸ NR1H2 P55055 1/20 0.42
▸ NR1H3 Q13133 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ KIF11 P52732 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ EGFR P00533 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5163615 0.87 HDAC4 (0.58) HDAC4MEN1PGRKMT2ASRC
SCHEMBL5164782 0.87 HDAC4 (0.58) HDAC4MEN1PGRKMT2ASRC
SCHEMBL5166077 0.85 HDAC4 (0.56) HDAC4MEN1PGRKMT2ASRC
SCHEMBL14376051 0.77 HDAC4 (0.78) HDAC4MEN1PGRKMT2ASRC
SCHEMBL10671529 0.77 MEN1 (0.81) HDAC4MEN1PGRKMT2ASRC
SCHEMBL10670928 0.76 MEN1 (0.61) HDAC4MEN1PGRKMT2ASRC
SCHEMBL7558383 0.75 HDAC4 (0.71) HDAC4MEN1PGRKMT2ASRC
SCHEMBL10668823 0.74 KMT2A (0.81) HDAC4MEN1PGRKMT2ASRC
SCHEMBL24864729 0.74 ALDH1A1 (0.60) MEN1PGRKMT2AALDH1A1MAPT
SCHEMBL10676764 0.74 MEN1 (0.85) HDAC4MEN1PGRKMT2ASRC

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
Send feedback