SCHEMBL22017242

SCHEMBL22017242

O=C(Nc1ccc(CN2CCOCC2)c(C(F)(F)F)c1)c1ccc(OCCCCl)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 1/20 0.65
MAPT P10636 6/20 0.51
ALDH1A1 P00352 4/20 0.51
ABL1 P00519 3/20 0.48
BRAF P15056 1/20 0.48
KMT2A Q03164 4/20 0.48
BCR P11274 1/20 0.47
RET P07949 2/20 0.47
KIF5B P33176 1/20 0.47
CYP2C9 P11712 1/20 0.47
MEN1 O00255 3/20 0.47
SRC P12931 2/20 0.47
KIT P10721 1/20 0.47
PDGFRB P09619 1/20 0.47
FGFR1 P11362 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT1 P17948 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR4 P22455 1/20 0.47
FGFR3 P22607 1/20 0.47

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
SCHEMBL22017401 0.91 TMPRSS2 (0.68) TMPRSS2MAPTABL1BRAFRET
SCHEMBL22017757 0.88 TMPRSS2 (0.67) TMPRSS2MAPTABL1BRAFRET
SCHEMBL22017407 0.88 TMPRSS2 (0.66) TMPRSS2MAPTABL1BRAFRET
SCHEMBL22017239 0.88 TMPRSS2 (0.70) TMPRSS2MAPTABL1BRAFRET
SCHEMBL22017753 0.86 TMPRSS2 (0.87) TMPRSS2MAPTALDH1A1ABL1BRAF
SCHEMBL22017408 0.86 TMPRSS2 (0.79) TMPRSS2ABL1BRAFBCRRET
SCHEMBL28070242 0.84 KIT (0.60) TMPRSS2MAPTALDH1A1ABL1BRAF
SCHEMBL22018089 0.84 TMPRSS2 (0.68) TMPRSS2MAPTABL1BRAFRET
SCHEMBL22017590 0.83 TMPRSS2 (0.68) TMPRSS2MAPTABL1BRAFRET
SCHEMBL22017586 0.81 TMPRSS2 (0.57) TMPRSS2MAPTALDH1A1KMT2AMEN1

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
WO-2020098710-A1 SUBSTITUTED BIS-ARYL AMIDE COMPOUND AND PREPARATION METHOD AND APPLICATION THEREFOR 中国医学科学院医药生物技术研究所 2020-05-22 WO disclosed