SCHEMBL8202874

SCHEMBL8202874

CC1OCc2c(N3CC4CCCNC4C3)c(F)cc3c(=O)c(OC(=O)O)cn1c23

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.55
ALDH1A1 P00352 9/20 0.55
HPGD P15428 7/20 0.55
HSD17B10 Q99714 6/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KCNH2 Q12809 4/20 0.38
POLB P06746 3/20 0.38
OPRM1 P35372 2/20 0.38
PRKD3 O94806 1/20 0.38
ALOX15 P16050 1/20 0.38
CLK2 P49760 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.38
PMP22 Q01453 1/20 0.35
ALB P02768 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
AADAT Q8N5Z0 2/20 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
SCHEMBL9411014 0.84 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6211854 0.84 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9411008 0.84 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL9411049 0.84 ALDH1A1 (0.69) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL6212462 0.84 ALDH1A1 (0.69) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6243794 0.83 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9411111 0.83 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9411214 0.83 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6984330 0.82 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL1852735 0.82 KDM4E (0.81) KDM4EALDH1A1HPGDHSD17B10MEN1

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