SCHEMBL7437784

SCHEMBL7437784

COc1ccc2c(c1)OCC(C(O)CNC1CCN(CC(=O)Nc3c(Cl)cccc3Cl)CC1)O2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MCHR1 Q99705 1/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL7446109 0.92 LMNA (0.49) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL7434220 0.89 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL7431672 0.88 LMNA (0.53) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL7434855 0.88 LMNA (0.49) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL7428126 0.88 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL10992865 0.88 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL7435698 0.88 AIMP2 (0.48) ALDH1A1SMN1; SMN2LMNAMAPK1GAA
SCHEMBL7440410 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL7446327 0.82 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL7437776 0.82 LMNA (0.38) ALDH1A1SMN1; SMN2LMNAMAPTMCHR1

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