SCHEMBL8480576

SCHEMBL8480576

C=CCN(C)C(/C=C/C)Oc1cc(F)c(C(=O)c2ccc(Br)cc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 19/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8484289 0.88 LSS (0.60) LSSMEN1KMT2A
SCHEMBL8482780 0.81 LSS (0.45) LSSMEN1KMT2A
SCHEMBL8479820 0.77 ACHE (0.39) LSSMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7687517 0.74 LSS (0.66) LSSMEN1KMT2A
SCHEMBL7687514 0.74 LSS (0.66) LSSMEN1KMT2A
Hydrochloric Acid SCHEMBL7684564 0.74 LSS (0.64) LSSMEN1KMT2A
SCHEMBL7681945 0.74 LSS (0.76) LSSMEN1KMT2A
Hydrochloric Acid SCHEMBL7684573 0.74 LSS (0.64) LSSMEN1KMT2A
Hydrochloric Acid SCHEMBL7679311 0.73 LSS (0.75) LSSMEN1KMT2A
SCHEMBL7679390 0.72 KMT2A (0.54) MEN1KMT2AALDH1A1CYP1A2CYP2D6

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-5856503-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US disclosed