SCHEMBL9837703

SCHEMBL9837703

C=C1COc2c(N3CCNC(C)C3)c(F)cc3c(=O)c4c(=O)[nH]oc4n1c23

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 5/20 0.42
HSD17B10 Q99714 5/20 0.42
PMP22 Q01453 1/20 0.42
POLB P06746 2/20 0.40
PRKD3 O94806 1/20 0.40
ALOX15 P16050 1/20 0.40
OPRM1 P35372 1/20 0.40
CLK2 P49760 1/20 0.40
KCNH2 Q12809 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALK Q9UM73 2/20 0.36
ALB P02768 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
AADAT Q8N5Z0 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33

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
SCHEMBL10729692 0.87 TOP2A (0.37) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9837945 0.85 TOP2A (0.41) ALDH1A1POLBOPRM1
SCHEMBL10761287 0.84 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9839234 0.84 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9839307 0.84 AADAT (0.33) KDM4EALDH1A1HPGDHSD17B10POLB
Hydrochloric Acid SCHEMBL9839667 0.84 TOP2A (0.40) ALDH1A1POLBOPRM1
SCHEMBL9839682 0.84 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9825503 0.77 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9839665 0.76
SCHEMBL9824114 0.75 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10PMP22

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-0228661-B1 ISOXAZOLO-PYRIDO-BENZOXAZINE AND ISOTHIAZOLO-PYRIDO-BENZOXAZINE DERIVATIVES ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
US-4687770-A Isoxazolo-pyrido-benzoxazine and isothiazolo-pyrido-benzoxazine derivatives ABBOTT LABORATORIES (US) 1987-08-18 US disclosed
EP-0228661-A1 Isoxazolo-pyrido-benzoxazine and isothiazolo-pyrido-benzoxazine derivatives ABBOTT LABORATORIES (US) 1987-07-15 EP disclosed