SCHEMBL10799423

SCHEMBL10799423

CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1cccc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
HSP90AA1 P07900 1/20 0.54
MAPT P10636 3/20 0.51
EGFR P00533 9/20 0.45
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RAPGEF4 Q8WZA2 1/20 0.42
GALR3 O60755 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FBP1 P09467 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL11592831 0.88 MEN1 (0.54) MEN1KMT2AHSP90AA1MAPTEGFR
SCHEMBL11741296 0.87 KMT2A (0.65) MEN1KMT2AHSP90AA1MAPTEGFR
SCHEMBL10796883 0.86 MEN1 (0.54) MEN1KMT2AHSP90AA1MAPTLMNA
SCHEMBL10796503 0.86 MEN1 (0.54) MEN1KMT2AHSP90AA1MAPTLMNA
SCHEMBL10797256 0.86 KMT2A (0.64) MEN1KMT2AHSP90AA1MAPTLMNA
SCHEMBL10801009 0.83 KIF11 (0.58) MEN1KMT2AHSP90AA1MAPTEGFR
SCHEMBL10796852 0.82 EGFR (0.48) MEN1KMT2AHSP90AA1MAPTEGFR
SCHEMBL10484818 0.82 KMT2A (0.52) MEN1KMT2AHSP90AA1MAPTLMNA
SCHEMBL10797198 0.82 KMT2A (0.51) MEN1KMT2AHSP90AA1MAPTLMNA
SCHEMBL10799925 0.79 TYMS (0.46) MEN1KMT2AHSP90AA1MAPTLMNA

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
US-4670596-A INSECTICIDE, MITICIDE ELI LILLY AND COMPANY (US) 1987-06-02 US disclosed