SCHEMBL28809368

SCHEMBL28809368

O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.64
KMT2A Q03164 7/20 0.64
MAPT P10636 6/20 0.64
POLB P06746 2/20 0.64
BLM P54132 1/20 0.64
LMNA P02545 5/20 0.60
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 1/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
SETD7 Q8WTS6 1/20 0.56
GAA P10253 1/20 0.55
RXFP1 Q9HBX9 1/20 0.54
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALOX5 P09917 1/20 0.53
GFER P55789 1/20 0.53

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
SCHEMBL16430986 0.85 MAPT (0.74) MEN1KMT2AMAPTPOLBBLM
SCHEMBL16431063 0.82 MEN1 (0.69) MEN1KMT2AMAPTPOLBBLM
SCHEMBL3644090 0.81 LMNA (0.58) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL9329754 0.81 MEN1 (0.85) MEN1KMT2AMAPTPOLBBLM
SCHEMBL27942778 0.81 PTGS1 (0.67) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL2851288 0.81 MEN1 (0.75) MEN1KMT2AMAPTPOLBBLM
SCHEMBL27923735 0.81 MAPT (0.58) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL1336235 0.80 MEN1 (0.74) MEN1KMT2AMAPTPOLBBLM
SCHEMBL4996591 0.80 RXFP1 (0.61) MEN1KMT2AMAPTPOLBBLM
SCHEMBL16441779 0.80 MEN1 (0.69) MEN1KMT2AMAPTPOLBBLM

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
CN-103387576-A Aramide Raf kinase inhibitor based on purine structure and preparation method and application thereof UNIV CHINA PHARMA 2013-11-13 CN disclosed