SCHEMBL7428126

SCHEMBL7428126

COc1ccc2c(c1)OCC(C(O)CNC1CCN(CC(=O)Nc3ccccc3)CC1)O2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 1/20 0.42
KDM4E B2RXH2 4/20 0.42
KCNA5 P22460 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL7434220 0.92 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL7446327 0.91 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL7436573 0.89 HTT (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL7446109 0.89 LMNA (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL7437784 0.88 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL7443888 0.88 POLB (0.48) ALDH1A1SMN1; SMN2MAPK1LMNAKDM4E
SCHEMBL10992553 0.88 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL7431672 0.87 LMNA (0.53) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL7435694 0.87 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL7434855 0.86 LMNA (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed