SCHEMBL8976064

SCHEMBL8976064

Nc1nc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ CYP3A4 P08684 3/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ TXNRD1 Q16881 1/20 0.45
▸ TXNRD3 Q86VQ6 1/20 0.45
▸ TXNRD2 Q9NNW7 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MAPT P10636 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ DHFR P00374 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIN1 Q13526 1/20 0.34
▸ SIRT6 Q8N6T7 1/20 0.34

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
SCHEMBL8975900 0.85 ALDH1A1 (0.49) ALDH1A1CYP3A4ALOX15TSHRHPGD
SCHEMBL456768 0.78 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRTDP1MAPT
SCHEMBL29028876 0.77 CYP3A4 (0.41) ALDH1A1CYP3A4ALOX15TSHRHPGD
SCHEMBL23234456 0.75 ALDH1A1 (0.44) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL3790793 0.75 ALDH1A1 (0.39) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL30987771 0.75 ALDH1A1 (0.44) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL30987781 0.75 CYP3A4 (0.44) ALDH1A1CYP3A4TSHRHPGDTDP1
SCHEMBL2975188 0.75 CYP3A4 (0.44) ALDH1A1CYP3A4TSHRHPGDTDP1
SCHEMBL13019612 0.75 ALDH1A1 (0.39) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL24241065 0.74 AR (0.42) ALDH1A1CYP3A4ALOX15TSHRHPGD

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
JP-8208611-A — — None — — JP disclosed
JP-H08208611-A IMIDAZO(4,5-B)PYRIDINE-BASED COMPOUND AND PEST-CONTROLLING AGENT CONTAINING THE SAME ISHIHARA SANGYO KAISHA LTD 1996-08-13 — — JP disclosed
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