SCHEMBL10625006

SCHEMBL10625006

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ GABRB3 P28472 4/20 0.42
▸ GABRA2 P47869 2/20 0.42
▸ GABRB2 P47870 2/20 0.42
▸ GABRP O00591 1/20 0.42
▸ GABRD O14764 1/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ GABRB1 P18505 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ GABRA4 P48169 1/20 0.42
▸ GABRE P78334 1/20 0.42
▸ GABRA6 Q16445 1/20 0.42
▸ GABRG1 Q8N1C3 1/20 0.42
▸ GABRG3 Q99928 1/20 0.42
▸ GABRQ Q9UN88 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39

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
SCHEMBL10522944 0.88 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10371785 0.85 MAPT (0.39) L3MBTL1KDM4EMEN1KMT2APKM
SCHEMBL10627213 0.84 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10522577 0.83 GABRB3 (0.38) L3MBTL1GABRB3GABRA2GABRB2GABRP
SCHEMBL10562897 0.82 GAA (0.50) L3MBTL1KDM4EMEN1KMT2ALMNA
SCHEMBL10388695 0.82 MAPT (0.37) L3MBTL1GABRA2GABRB2KDM4EMEN1
SCHEMBL10563657 0.82 THRB (0.38) L3MBTL1GABRB3GABRA2GABRB2GABRP
SCHEMBL10560650 0.81 MAPK1 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10563654 0.81 THRB (0.38) L3MBTL1GABRB3GABRA2GABRB2GABRP
SCHEMBL10627175 0.79 TDP1 (0.39) GABRB3GABRA2GABRB2GABRPGABRD

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-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
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