SCHEMBL8736871

SCHEMBL8736871

O=C(Nc1c(NC(=O)C(Cl)(Cl)Cl)cc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HIF1A Q16665 1/20 0.46
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PTPN5 P54829 2/20 0.42
HRAS P01112 2/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8734159 0.94 MAPK1 (0.48) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL8734642 0.90 ALDH1A1 (0.43) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL8736797 0.90 ALDH1A1 (0.43) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL8733248 0.88 MAPK1 (0.44) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL11849607 0.85 ALDH1A1 (0.53) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL8734650 0.83 MAPK1 (0.46) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL8736065 0.81 MAPK1 (0.44) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL8734794 0.80 PDK1 (0.40) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL8736207 0.79 ALDH1A1 (0.57) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL7710558 0.78 ALDH1A1 (0.51) ALDH1A1CYP3A4HPGDALOX15TSHR

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
EP-0821953-A2 Anticoccidial methods and feedstuffs ELI LILLY AND COMPANY (US) 1998-02-04 EP disclosed