SCHEMBL20177411

SCHEMBL20177411

NC(=O)CNC(=O)C1CC(Cl)CCC(Cl)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.33
KMT2A Q03164 2/20 0.33
DPP4 P27487 2/20 0.33
FAP Q12884 2/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EPHX1 P07099 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31

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
SCHEMBL26583876 0.78 EPHX1 (0.48) PREPKMT2ADPP4FAPALDH1A1
SCHEMBL6274117 0.78 EPHX1 (0.53) PREPKMT2ADPP4FAPALDH1A1
SCHEMBL6809254 0.77 CHRNB2 (0.35) TSHREPHX1CHRNB2CHRNB4CHRNA3
SCHEMBL6810057 0.77 CHRNB2 (0.35) TSHREPHX1CHRNB2CHRNB4CHRNA3
SCHEMBL6267443 0.77 CHRNB2 (0.35) TSHREPHX1CHRNB2CHRNB4CHRNA3
SCHEMBL6271761 0.73 KMT2A (0.41) KMT2AALDH1A1EPHX1SMN1; SMN2HSD17B10
SCHEMBL6273403 0.73 KMT2A (0.34) KMT2AEPHX1SMN1; SMN2HSD17B10PSMB5
SCHEMBL6274839 0.72 EPHX1 (0.47) PREPDPP4FAPALDH1A1EPHX1
SCHEMBL6273756 0.72 AAK1 (0.43) PREPDPP4FAPALDH1A1EPHX1
SCHEMBL15082268 0.70 HTR2C (0.44) PREPKMT2AMEN1ALOX15TSHR

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
WO-2018092723-A1 Ras PROTEIN DEGRADATION INDUCING MOLECULE AND PHARMACEUTICAL COMPOSITION 学校法人東京理科大学 2018-05-24 WO disclosed
WO-2018092725-A1 p53 DEGRADATION INDUCING MOLECULE AND PHARMACEUTICAL COMPOSITION 学校法人東京理科大学 2018-05-24 WO disclosed