SCHEMBL9685075

SCHEMBL9685075

Cc1c([N+](=O)[O-])ccc(Cl)c1OCC(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.38
S1PR4 O95977 1/20 0.34
TSHR P16473 3/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PDK1 Q15118 2/20 0.34
PDK2 Q15119 2/20 0.34
PDK3 Q15120 2/20 0.34
PDK4 Q16654 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.33
VCAM1 P19320 2/20 0.33
CYP3A4 P08684 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HIF1A Q16665 1/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 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
SCHEMBL9683748 0.84 CFTR (0.42) TDP1S1PR4TSHRMAPK1SMN1; SMN2
SCHEMBL9683059 0.83 TDP1 (0.36) TDP1S1PR4TSHRMAPK1SMN1; SMN2
SCHEMBL9505481 0.75 TDP1 (0.50) TDP1TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL9755712 0.73 ALDH1A1 (0.39) TDP1TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL3309493 0.70 TDP1 (0.47) TDP1TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL9546820 0.69 ALDH1A1 (0.39) TDP1TSHRALDH1A1PDK1PDK2
SCHEMBL10532607 0.69 MAPT (0.44) TDP1TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4864448 0.69 TDP1 (0.57) TDP1TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL7492950 0.68 RAB9A (0.62) TDP1MAPK1SMN1; SMN2ALDH1A1MEN1
SCHEMBL27751205 0.68 TDP1 (0.52) TDP1TSHRMAPK1SMN1; SMN2ALDH1A1

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-5162583-A Triazole Herbicide Intermediates KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-11-10 US claimed