SCHEMBL11053306

SCHEMBL11053306

CCP(=O)(OC(Cl)OC(C)=O)c1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ LMNA P02545 5/20 0.45
▸ FFAR1 O14842 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ FAAH O00519 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ LIPE Q05469 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ TTR P02766 1/20 0.39
▸ PPOX P50336 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ POLB P06746 1/20 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
SCHEMBL11045093 0.93 LMNA (0.44) SMN1; SMN2LMNAFFAR1ALDH1A1FAAH
SCHEMBL11056039 0.88 LMNA (0.43) SMN1; SMN2LMNAFFAR1ALDH1A1FAAH
SCHEMBL11045972 0.86 LMNA (0.44) SMN1; SMN2LMNAFFAR1ALDH1A1FAAH
SCHEMBL11047872 0.86 LMNA (0.43) SMN1; SMN2LMNAFFAR1ALDH1A1FAAH
SCHEMBL10854172 0.86 LMNA (0.48) SMN1; SMN2LMNAFFAR1ALDH1A1FAAH
SCHEMBL10853955 0.85 SMN1; SMN2 (0.51) SMN1; SMN2LMNAFFAR1ALDH1A1FAAH
SCHEMBL10858089 0.84 LMNA (0.45) SMN1; SMN2LMNAFFAR1ALDH1A1FAAH
SCHEMBL11051270 0.83 LMNA (0.47) SMN1; SMN2LMNAFFAR1ALDH1A1FAAH
SCHEMBL10855961 0.83 LMNA (0.54) SMN1; SMN2LMNAFFAR1ALDH1A1FAAH
SCHEMBL10859301 0.83 RAB9A (0.50) SMN1; SMN2LMNAFFAR1ALDH1A1FAAH

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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