SCHEMBL10622980

SCHEMBL10622980

CCOC(=O)C(C)Oc1c([N+](=O)[O-])cnn1-c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ PKM P14618 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ TTR P02766 1/20 0.37
▸ PPOX P50336 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ VDR P11473 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ SLC6A9 P48067 1/20 0.36
▸ HPD P32754 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL10620613 0.91 PKM (0.43) GAAPKMALDH1A1KDM4EPOLB
SCHEMBL9527181 0.88 GABRB3 (0.42) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL20336295 0.84 ALDH1A1 (0.39) PKMALDH1A1MEN1KMT2ALMNA
SCHEMBL10623001 0.83 MEN1 (0.40) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL10623513 0.81 LMNA (0.38) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL10625269 0.79 PKM (0.49) PKMALDH1A1TDP1
SCHEMBL10623013 0.79 MAPK1 (0.40) PKMALDH1A1KDM4EPOLBMEN1
SCHEMBL6504211 0.77 GAA (0.52) GAAPKMALDH1A1KDM4EMEN1
SCHEMBL10843664 0.75 PKM (0.53) GAAPKMALDH1A1KDM4EMEN1
SCHEMBL10770318 0.74 MEN1 (0.47) GAAPKMALDH1A1KDM4EPOLB

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-4770692-A 4-cyano(nitro)-5-oxy(thio)-pyrazole derivatives, composition containing them, and herbicidal and plant growth regulating methods of using them BAYER AKTIENGESELLSCHAFT (DE) 1988-09-13 — — US claimed
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