SCHEMBL5534830

SCHEMBL5534830

O=C(Nc1ccc2c(c1)CCNC2)c1c(-c2ccccc2)cccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 2/20 0.47
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
KLKB1 P03952 1/20 0.45
PRSS1 P07477 1/20 0.45
ITGB3 P05106 2/20 0.45
ITGA2 P17301 2/20 0.45
ASIC3 Q9UHC3 1/20 0.45
SLC2A1 P11166 2/20 0.44
ITGA2B P08514 1/20 0.44
PTK2 Q05397 1/20 0.42
PRCP P42785 1/20 0.42
ROCK2 O75116 1/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
IGF1R P08069 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL6665956 0.85 RXFP1 (0.41) PLAUMEN1KMT2A
SCHEMBL2804700 0.81 MEN1 (0.58) MELKF2PLGPLAUPLAT
SCHEMBL8208303 0.79 APOB (0.62) MELKASIC3SLC2A1MEN1KMT2A
SCHEMBL9092238 0.77 MEN1 (0.44) ITGB3ITGA2BMEN1KMT2AATM
SCHEMBL8197860 0.75 MELK (0.68) MELKF2PLGPLAUPLAT
SCHEMBL31423364 0.74 MELK (0.55) MELKITGB3ITGA2SLC2A1ITGA2B
SCHEMBL8509528 0.74 PRMT5 (0.43) MEN1KMT2A
Hydrochloric Acid SCHEMBL31423385 0.73 SLC2A1 (0.55) MELKITGB3ITGA2SLC2A1ITGA2B
SCHEMBL8025148 0.73 APOB (0.48) MELKASIC3SLC2A1PTK2
SCHEMBL6717457 0.72 MELK (0.52) MELKITGB3ITGA2SLC2A1ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1806149-A1 SOLID MEDICINAL PREPARATION IMPROVED IN SOLUBILITY AND STABILITY AND PROCESS FOR PRODUCING THE SAME Japan Tobacco, Inc. (JP) 2007-07-11 EP disclosed