SCHEMBL11075864

SCHEMBL11075864

O=C(O)c1cn2c3c(c(N4CCNC(O)C4)c(F)cc3c1=O)OCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.52
ALDH1A1 P00352 6/20 0.52
HPGD P15428 6/20 0.52
HSD17B10 Q99714 6/20 0.52
PMP22 Q01453 1/20 0.51
POLB P06746 2/20 0.49
PRKD3 O94806 1/20 0.49
ALOX15 P16050 1/20 0.49
OPRM1 P35372 1/20 0.49
CLK2 P49760 1/20 0.49
KCNH2 Q12809 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALB P02768 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
AADAT Q8N5Z0 2/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47

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
SCHEMBL11076575 0.86 TOP2A (0.58) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL2738965 0.81 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL8877487 0.78 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL220003 0.78 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL6671002 0.78 TOP1 (0.47) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL5605387 0.77 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL18197013 0.77 TOP2A (0.47) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10330763 0.76 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9747674 0.75 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL2738962 0.75 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0047005-B1 BENZOXAZINE DERIVATIVES DAIICHI SEIYAKU CO., LTD. (JP) 1984-11-14 EP disclosed
EP-0040000-B1 ARYLETHANOLAMINE DERIVATIVES, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1983-10-12 EP disclosed
US-4382892-A Benzoxazine derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1983-05-10 US disclosed
EP-0047005-A1 Benzoxazine derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1982-03-10 EP disclosed