SCHEMBL8948698

SCHEMBL8948698

CC1(C)Cc2c(F)ccc([N+](=O)[O-])c2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 6/20 0.40
HIF1A Q16665 1/20 0.40
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
VCAM1 P19320 1/20 0.35
ESPL1 Q14674 1/20 0.35
CASP6 P55212 1/20 0.35
NQO1 P15559 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL10963329 0.83 ALDH1A1 (0.47) MAPTLMNAHTTALDH1A1TDP1
SCHEMBL18181623 0.82 ALDH1A1 (0.38) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL8948739 0.82 TDP1 (0.42) ALDH1A1TDP1KMT2AMEN1VCAM1
SCHEMBL8948525 0.79 ALDH1A1 (0.41) MAPTLMNAHTTALDH1A1TDP1
SCHEMBL10989535 0.76 ALDH1A1 (0.44) MAPTLMNAALDH1A1HIF1ATDP1
SCHEMBL10320899 0.75 SIRT6 (0.42) MAPTLMNAHTTALDH1A1HIF1A
SCHEMBL26655543 0.74 MAPT (0.47) MAPTLMNAHTTALDH1A1HIF1A
SCHEMBL23027466 0.72 ALDH1A1 (0.36) MAPTLMNAHTTALDH1A1KMT2A
SCHEMBL23027467 0.72 ALDH1A1 (0.34) MAPTLMNAHTTALDH1A1KMT2A
SCHEMBL2963825 0.72 MEN1 (0.50) MAPTLMNAALDH1A1TDP1KMT2A

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-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 US disclosed