SCHEMBL10799433

SCHEMBL10799433

CC(C)(C)c1cc([N+](=O)[O-])c(Nc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HSP90AA1 P07900 1/20 0.55
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
NPC1 O15118 1/20 0.50
GLA P06280 1/20 0.50
CASP3 P42574 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
CASP7 P55210 1/20 0.50
MAPT P10636 4/20 0.48
CXCR2 P25025 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 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
SCHEMBL10796938 0.86 MAPT (0.49) MEN1KMT2AHSP90AA1ALDH1A1MAPK1
SCHEMBL28400089 0.85 MAPT (0.50) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL10801689 0.85 HRAS (0.49) MEN1KMT2AHSP90AA1ALDH1A1MAPK1
SCHEMBL10801619 0.85 L3MBTL1 (0.44) MEN1KMT2AHSP90AA1ALDH1A1MAPK1
SCHEMBL10797342 0.85 MAPT (0.44) MEN1KMT2AHSP90AA1ALDH1A1MAPK1
SCHEMBL10797113 0.85 MEN1 (0.46) MEN1KMT2AHSP90AA1ALDH1A1MAPK1
SCHEMBL2646209 0.84 MEN1 (0.55) MEN1KMT2AHSP90AA1ALDH1A1MAPK1
SCHEMBL10797312 0.84 GSK3B (0.46) MEN1KMT2AHSP90AA1ALDH1A1MAPK1
SCHEMBL10796852 0.84 EGFR (0.48) MEN1KMT2AHSP90AA1L3MBTL1MAPT
SCHEMBL10802521 0.84 MAPK1 (0.58) MEN1KMT2AALDH1A1MAPK1L3MBTL1

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