SCHEMBL11048611

SCHEMBL11048611

CCP(=O)(Cl)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.56
▸ S1PR4 O95977 3/20 0.47
▸ PDE7A Q13946 2/20 0.45
▸ MAPK1 P28482 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TTR P02766 1/20 0.42
▸ PPOX P50336 1/20 0.42
▸ LMNA P02545 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ FFAR1 O14842 2/20 0.39
▸ MAPT P10636 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL10951206 0.92 PDE7A (0.55) TDP1S1PR4PDE7AMAPK1ALDH1A1
SCHEMBL10955819 0.89 TDP1 (0.44) TDP1S1PR4PDE7AMAPK1TSHR
SCHEMBL10857037 0.88 TDP1 (0.58) TDP1S1PR4PDE7AMAPK1TSHR
SCHEMBL10955246 0.87 PDE7A (0.41) TDP1S1PR4PDE7AMAPK1TSHR
SCHEMBL10854686 0.87 TDP1 (0.57) TDP1S1PR4PDE7AMAPK1TSHR
SCHEMBL10853995 0.86 TDP1 (0.60) TDP1MAPK1ALDH1A1MEN1KMT2A
SCHEMBL10861112 0.84 TDP1 (0.61) TDP1S1PR4PDE7AMAPK1TSHR
SCHEMBL10852632 0.83 TDP1 (0.60) TDP1S1PR4PDE7AMAPK1TSHR
SCHEMBL10953054 0.82 ALDH1A1 (0.48) TDP1S1PR4MAPK1ALDH1A1MEN1
SCHEMBL11052171 0.81 LMNA (0.48) TDP1S1PR4MAPK1TSHRALDH1A1

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-4456465-A HERBICIDES ZOECON CORPORATION (US) 1984-06-26 — — US disclosed
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