SCHEMBL6566922

SCHEMBL6566922

O=C(NCCN1CCOCC1)Nc1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.69
CNR1 P21554 2/20 0.69
LMNA P02545 2/20 0.63
KMT2A Q03164 1/20 0.63
EPHX2 P34913 4/20 0.56
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.53
EGFR P00533 1/20 0.52
HTR1A P08908 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
KCNH2 Q12809 1/20 0.51
CD274 Q9NZQ7 1/20 0.51

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
SCHEMBL6568383 0.87 CNR1 (0.65) SMN1; SMN2CNR1KMT2AGAAMAPT
SCHEMBL22834260 0.82 SMN1; SMN2 (1.00) SMN1; SMN2CNR1LMNAKMT2AEPHX2
SCHEMBL25454925 0.79 EPHX2 (0.77) SMN1; SMN2CNR1LMNAKMT2AEPHX2
SCHEMBL30415729 0.76 LMNA (1.00) SMN1; SMN2CNR1LMNAKMT2AEPHX2
SCHEMBL3761624 0.76 SMN1; SMN2 (0.72) SMN1; SMN2CNR1LMNAKMT2AEPHX2
SCHEMBL8202803 0.76 SMN1; SMN2 (0.85) SMN1; SMN2CNR1LMNAEPHX2MAPT
SCHEMBL11926730 0.76 SMN1; SMN2 (0.76) SMN1; SMN2CNR1LMNAKMT2AEPHX2
SCHEMBL30416642 0.76 SMN1; SMN2 (0.75) SMN1; SMN2CNR1LMNAKMT2AEPHX2
SCHEMBL3897267 0.75 SMN1; SMN2 (0.60) SMN1; SMN2CNR1LMNAKMT2AALDH1A1
SCHEMBL14574176 0.75 EPHX2 (0.64) SMN1; SMN2CNR1LMNAKMT2AEPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP claimed