SCHEMBL11685455

SCHEMBL11685455

O=[N+]([O-])c1cc([N+](=O)[O-])c2nc(C(F)(F)F)n(O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 1/20 0.45
▸ TXNRD1 Q16881 1/20 0.42
▸ TXNRD3 Q86VQ6 1/20 0.42
▸ TXNRD2 Q9NNW7 1/20 0.42
▸ DCTPP1 Q9H773 1/20 0.41
▸ PLK1 P53350 1/20 0.39
▸ MAPT P10636 4/20 0.37
▸ MAPK1 P28482 4/20 0.37
▸ ALDH1A1 P00352 6/20 0.37
▸ GPR35 Q9HC97 5/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ TTR P02766 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALOX15 P16050 1/20 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
SCHEMBL8855525 0.86 PLK1 (0.53) TXNRD1TXNRD3TXNRD2DCTPP1PLK1
SCHEMBL11683669 0.85 ALDH1A1 (0.40) CREBBPTXNRD1TXNRD3TXNRD2DCTPP1
SCHEMBL11684355 0.80 TXNRD1 (0.40) CREBBPTXNRD1TXNRD3TXNRD2DCTPP1
SCHEMBL8855422 0.77 PLK1 (0.50) TXNRD1TXNRD3TXNRD2DCTPP1PLK1
SCHEMBL8733239 0.76 PLK1 (0.48) TXNRD1TXNRD3TXNRD2DCTPP1PLK1
SCHEMBL11629785 0.75 ALDH1A1 (0.42) CREBBPPLK1MAPTMAPK1ALDH1A1
SCHEMBL11854099 0.73 DCTPP1 (0.35) TXNRD1TXNRD3TXNRD2DCTPP1PLK1
SCHEMBL11860634 0.71 PLK1 (0.39) TXNRD1TXNRD3TXNRD2DCTPP1PLK1
SCHEMBL22954616 0.69 PLK1 (0.50) TXNRD1TXNRD3TXNRD2PLK1MAPT
SCHEMBL29517736 0.69 PLK1 (0.50) TXNRD1TXNRD3TXNRD2PLK1MAPT

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-4031107-A Method for introducing amino groups into benzimidazole or imidazopyridine compounds ELI LILLY AND COMPANY (US) 1977-06-21 — — US disclosed
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