SCHEMBL8855487

SCHEMBL8855487

O=[N+]([O-])c1cc(C(F)(F)F)cc2nc(C(F)(F)F)[nH]c12.[Na]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 3/20 0.47
HPGD P15428 3/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALOX15 P16050 1/20 0.47
HIF1A Q16665 1/20 0.47
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
NPSR1 Q6W5P4 1/20 0.44
PTPN5 P54829 1/20 0.41
MAPK1 P28482 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
POLB P06746 3/20 0.37

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
SCHEMBL8855624 0.99 MAPT (0.52) MAPTALDH1A1CYP3A4HPGDTSHR
SCHEMBL8855551 0.89 ALDH1A1 (0.49) MAPTALDH1A1CYP3A4HPGDTSHR
SCHEMBL8855549 0.89 MAPT (0.46) MAPTALDH1A1CYP3A4HPGDTSHR
SCHEMBL8736226 0.87 MAPT (0.44) MAPTALDH1A1CYP3A4HPGDTSHR
SCHEMBL8855581 0.83 CHUK (0.41) MAPTALDH1A1CYP3A4HPGDTSHR
SCHEMBL2423211 0.83 ALDH1A1 (0.55) MAPTALDH1A1CYP3A4HPGDTSHR
SCHEMBL11180577 0.82 ALDH1A1 (0.40) MAPTALDH1A1CYP3A4HPGDTSHR
SCHEMBL8855565 0.81 ALDH1A1 (0.45) MAPTALDH1A1CYP3A4HPGDTSHR
SCHEMBL11186264 0.81 MAPT (0.38) MAPTALDH1A1CYP3A4HPGDTSHR
SCHEMBL6813356 0.77 NPSR1 (0.46) MAPTALDH1A1CYP3A4HPGDTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670485-A FEEDS FOR POULTRY WITH O-PHENYLENEDIAMINE OR BENZIMIDAZOLE WITH POLYETHER ANTIBIOTICS ELI LILLY AND COMPANY (US) 1997-09-23 US disclosed
US-4122184-A Benzimidazole insecticides ELI LILLY AND COMPANY (US) 1978-10-24 US disclosed