SCHEMBL10797256

SCHEMBL10797256

CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.64
MEN1 O00255 7/20 0.64
HSP90AA1 P07900 1/20 0.64
MAPT P10636 7/20 0.53
CXCR2 P25025 4/20 0.49
L3MBTL1 Q9Y468 4/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 4/20 0.47
TDP1 Q9NUW8 4/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.47
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
GALR3 O60755 1/20 0.46
POLB P06746 2/20 0.46

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
SCHEMBL10797198 0.90 KMT2A (0.51) KMT2AMEN1HSP90AA1MAPTCXCR2
SCHEMBL10799930 0.86 MEN1 (0.48) KMT2AMEN1HSP90AA1MAPTL3MBTL1
SCHEMBL10800838 0.86 MEN1 (0.48) KMT2AMEN1HSP90AA1MAPTCXCR2
SCHEMBL10796503 0.86 MEN1 (0.54) KMT2AMEN1HSP90AA1MAPTCXCR2
SCHEMBL10796992 0.86 MEN1 (0.48) KMT2AMEN1HSP90AA1MAPTCXCR2
SCHEMBL11063459 0.86 KMT2A (0.64) KMT2AMEN1HSP90AA1MAPTCXCR2
SCHEMBL10799423 0.86 MEN1 (0.54) KMT2AMEN1HSP90AA1MAPTL3MBTL1
SCHEMBL11156657 0.85 KMT2A (0.79) KMT2AMEN1HSP90AA1MAPTCXCR2
SCHEMBL10797002 0.85 MAPK1 (0.48) KMT2AMEN1HSP90AA1MAPTL3MBTL1
SCHEMBL10796950 0.84 MAPK1 (0.49) KMT2AMEN1HSP90AA1MAPTL3MBTL1

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