SCHEMBL8855433

SCHEMBL8855433

CNC(=O)On1c(C(F)(F)F)nc2c([N+](=O)[O-])cc(C(F)(F)F)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ PLK1 P53350 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ TXNRD1 Q16881 1/20 0.37
▸ TXNRD3 Q86VQ6 1/20 0.37
▸ TXNRD2 Q9NNW7 1/20 0.37
▸ POLB P06746 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPK1 P28482 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL11854918 0.88 PLK1 (0.41) MAPTTDP1PLK1ALDH1A1CYP3A4
SCHEMBL8855627 0.83 CYP3A4 (0.43) MAPTTDP1PLK1ALDH1A1CYP3A4
SCHEMBL11850811 0.81 MAPT (0.41) MAPTTDP1PLK1ALDH1A1CYP3A4
SCHEMBL11853403 0.80 CYP3A4 (0.42) MAPTTDP1PLK1ALDH1A1CYP3A4
SCHEMBL8855585 0.79 TDP1 (0.44) MAPTTDP1PLK1ALDH1A1CYP3A4
SCHEMBL8855540 0.77 PLK1 (0.43) MAPTTDP1PLK1ALDH1A1CYP3A4
SCHEMBL8855525 0.76 PLK1 (0.53) MAPTTDP1PLK1ALDH1A1CYP3A4
SCHEMBL8855456 0.75 CYP3A4 (0.43) MAPTTDP1PLK1ALDH1A1CYP3A4
SCHEMBL8855498 0.75 CYP3A4 (0.40) MAPTTDP1PLK1ALDH1A1CYP3A4
SCHEMBL8855467 0.74 PLK1 (0.39) MAPTTDP1PLK1ALDH1A1CYP3A4

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-5670485-A FEEDS FOR POULTRY WITH O-PHENYLENEDIAMINE OR BENZIMIDAZOLE WITH POLYETHER ANTIBIOTICS ELI LILLY AND COMPANY (US) 1997-09-23 — — US disclosed
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