SCHEMBL9839618

SCHEMBL9839618

CC1COc2c(F)c(F)cc3c(=O)c4c(=O)[nH]oc4n1c23

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 5/20 0.36
KMT2A Q03164 1/20 0.36
TOP2A P11388 4/20 0.36
TOP2B Q02880 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ALB P02768 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
AADAT Q8N5Z0 2/20 0.35
TUBB4A P04350 1/20 0.35
POLB P06746 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35

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
SCHEMBL9839287 0.84 KDM4E (0.45) KDM4EKMT2ATOP2ATOP2BALDH1A1
SCHEMBL9837891 0.84 KDM4E (0.56) KDM4ETOP2AALDH1A1HPGDHSD17B10
SCHEMBL10574808 0.83 KDM4E (0.34) KDM4EKMT2ATOP2ATOP2BALDH1A1
SCHEMBL9839682 0.81 KDM4E (0.43) KDM4EKMT2AALDH1A1HPGDHSD17B10
SCHEMBL10576051 0.81 KDM4E (0.33) KDM4EKMT2ATOP2ATOP2BALDH1A1
SCHEMBL9839648 0.81 AADAT (0.41) KDM4EKMT2ATOP2ATOP2BALDH1A1
SCHEMBL9837629 0.81 PIM1 (0.45) KDM4ETOP2ATOP2BALDH1A1HPGD
SCHEMBL9838915 0.81 TOP2A (0.43) KDM4EKMT2ATOP2ATOP2BALDH1A1
SCHEMBL4185112 0.80 IKBKB (0.45)
SCHEMBL9739361 0.80 IKBKB (0.45)

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 2 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