SCHEMBL8205217

SCHEMBL8205217

CC(C)C1C=CC(N)C2CN(c3c(F)cc4c(=O)c(OC(=O)O)cn5c4c3COC5C)CC12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
KCNH2 Q12809 4/20 0.34
AADAT Q8N5Z0 2/20 0.33
KDM4E B2RXH2 8/20 0.32
ALDH1A1 P00352 7/20 0.32
HPGD P15428 6/20 0.32
HSD17B10 Q99714 6/20 0.32
POLB P06746 3/20 0.32
OPRM1 P35372 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
OPRD1 P41143 1/20 0.32
ALB P02768 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PRKD3 O94806 1/20 0.32
ALOX15 P16050 1/20 0.32
CLK2 P49760 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TUBB4A P04350 1/20 0.32

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
SCHEMBL8194382 0.86 LMNA (0.36) LMNAKCNH2AADATKDM4EALDH1A1
SCHEMBL9694730 0.84 KCNH2 (0.44) LMNAKCNH2KDM4EALDH1A1HPGD
SCHEMBL8206595 0.79 KDM4E (0.51) LMNAKCNH2AADATKDM4EALDH1A1
SCHEMBL8207123 0.79 LMNA (0.36) LMNAKCNH2AADATKDM4EALDH1A1
SCHEMBL8203931 0.79 LMNA (0.35) LMNAKCNH2AADATKDM4EALDH1A1
SCHEMBL8202076 0.76 LMNA (0.38) LMNAAADATKDM4EALDH1A1HPGD
SCHEMBL8202874 0.76 KDM4E (0.55) LMNAKCNH2AADATKDM4EALDH1A1
SCHEMBL8133386 0.76 ALDH1A1 (0.43) LMNAKCNH2KDM4EALDH1A1HPGD
SCHEMBL8133088 0.74 ALDH1A1 (0.53) LMNAKCNH2KDM4EALDH1A1HPGD
SCHEMBL8133736 0.73 KDM4E (0.53) LMNAKCNH2KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770083-B1 PYRIDO[3,2,1-i,j][3,1]BENZOXAZINE DERIVATIVES BAYER AG (DE) 2000-08-30 EP disclosed
EP-0770083-A1 PYRIDO[3,2,1-i,j][3,1]BENZOXAZINE DERIVATIVES BAYER AG (DE) 1997-05-02 EP disclosed
WO-1996001829-A1 PYRIDO[3,2,1-i,j][3,1]BENZOXAZINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1996-01-25 WO disclosed