SCHEMBL10562897

SCHEMBL10562897

N#CCC(=O)Nc1c([N+](=O)[O-])cnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ AGPAT2 O15120 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ PKM P14618 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TXNRD1 Q16881 1/20 0.36
▸ TXNRD3 Q86VQ6 1/20 0.36
▸ TXNRD2 Q9NNW7 1/20 0.36
▸ MAPT P10636 8/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ RAB9A P51151 3/20 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
SCHEMBL10371785 0.88 MAPT (0.39) GAAMAPK1RXFP1ALDH1A1PKM
SCHEMBL10522944 0.87 GABRB3 (0.41) ALDH1A1PKMCYP3A4TDP1HPGD
SCHEMBL10388695 0.84 MAPT (0.37) GAAMAPK1RXFP1ALDH1A1PKM
SCHEMBL10627213 0.82 GABRB3 (0.40) GAAALDH1A1PKMCYP3A4TDP1
SCHEMBL10625006 0.82 L3MBTL1 (0.42) ALDH1A1PKMMAPTMEN1KMT2A
SCHEMBL10627175 0.82 TDP1 (0.39) GAAALDH1A1PKMCYP3A4TDP1
SCHEMBL10372025 0.81 ALDH1A1 (0.47) GAAALDH1A1PKMCYP3A4HPGD
SCHEMBL10563657 0.81 THRB (0.38) ALDH1A1PKMCYP3A4TDP1MAPT
SCHEMBL10563654 0.80 THRB (0.38) MAPK1ALDH1A1PKMTDP1MAPT
SCHEMBL10369751 0.80 MAPT (0.39) GAAMAPK1ALDH1A1PKMCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4772310-A 5-acylamino-pyrazole derivatives, composition containing them, and their use as herbicides and plant growth BAYER AKTIENGESELLSCHAFT (DE) 1988-09-20 — — US claimed
US-4814001-A PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1989-03-21 — — US disclosed
US-4772310-A 5-acylamino-pyrazole derivatives, composition containing them, and their use as herbicides and plant growth BAYER AKTIENGESELLSCHAFT (DE) 1988-09-20 — — US disclosed
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