SCHEMBL9683748

SCHEMBL9683748

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.42
TDP1 Q9NUW8 3/20 0.36
VCAM1 P19320 2/20 0.34
TSHR P16473 4/20 0.33
CYP3A4 P08684 2/20 0.33
S1PR4 O95977 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PMM2 O15305 1/20 0.32
MPI P34949 1/20 0.32
PHOSPHO1 Q8TCT1 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HIF1A Q16665 1/20 0.31
TXNRD1 Q16881 1/20 0.31
TXNRD3 Q86VQ6 1/20 0.31

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
SCHEMBL9683059 0.91 TDP1 (0.36) CFTRTDP1VCAM1TSHRCYP3A4
SCHEMBL9685075 0.84 TDP1 (0.38) TDP1VCAM1TSHRCYP3A4S1PR4
SCHEMBL8628490 0.74 MAPT (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3885683 0.69 CFTR (0.54) CFTRALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL3309493 0.68 TDP1 (0.47) TDP1VCAM1TSHRCYP3A4ALDH1A1
SCHEMBL9546820 0.68 ALDH1A1 (0.39) CFTRTDP1TSHRCYP3A4ALDH1A1
SCHEMBL10532607 0.67 MAPT (0.44) TDP1TSHRCYP3A4ALDH1A1MAPK1
SCHEMBL4864448 0.67 TDP1 (0.57) TDP1VCAM1TSHRCYP3A4ALDH1A1
SCHEMBL9683738 0.67 HSD17B10 (0.43) CFTRTDP1VCAM1ALDH1A1SMN1; SMN2
SCHEMBL27751205 0.66 TDP1 (0.52) TDP1VCAM1TSHRCYP3A4ALDH1A1

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