SCHEMBL7448696

SCHEMBL7448696

CCOc1cc2c(cc1OC)/C(=C(/C#N)CCCN1CCCC1)NCC2(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 4/20 0.39
SPIN1 Q9Y657 3/20 0.36
EHMT1 Q9H9B1 1/20 0.36
CHEK1 O14757 1/20 0.36
LMNA P02545 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
ADRA2C P18825 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KMT5A Q9NQR1 2/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL7448706 1.00 EHMT2 (0.39) EHMT2SPIN1EHMT1CHEK1LMNA
SCHEMBL7393975 0.78 PDE4A (0.36) LMNAALDH1A1L3MBTL1
SCHEMBL7445640 0.76 HTR2A (0.38) CHEK1HTR1A
SCHEMBL7445629 0.76 HTR2A (0.38) CHEK1HTR1A
SCHEMBL8344604 0.76 ALDH1A1 (0.36) CHEK1LMNAALDH1A1L3MBTL1
SCHEMBL7444417 0.75 EHMT2 (0.35) EHMT2CHEK1LMNAHTR1AADRA2A
SCHEMBL7393757 0.75 EHMT2 (0.35) EHMT2CHEK1LMNAHTR1AADRA2A
SCHEMBL7393752 0.75 EHMT2 (0.35) EHMT2CHEK1LMNAHTR1AADRA2A
SCHEMBL7403386 0.74 EHMT2 (0.36) EHMT2CHEK1LMNAHTR1AADRA2A
SCHEMBL7403389 0.74 EHMT2 (0.36) EHMT2CHEK1LMNAHTR1AADRA2A

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
WO-2001064648-A1 ISOQUINOLINE DERIVATIVES SANOFI-SYNTHELABO (FR) 2001-09-07 WO disclosed