SCHEMBL9837668

SCHEMBL9837668

CC1COc2c(N3CCC(CN)C3)c(F)cc3c(=O)c4c(=O)[nH]oc4n1c23

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
AADAT Q8N5Z0 2/20 0.41
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALB P02768 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TOP1 P11387 6/20 0.39
TUBB4A P04350 1/20 0.39
POLB P06746 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39

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
SCHEMBL9837629 0.89 PIM1 (0.45) AADATKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9839219 0.88 PIM1 (0.44) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4195115 0.85 KCNH2 (0.42) KCNH2AADATKDM4EALDH1A1HPGD
SCHEMBL9839682 0.84 KDM4E (0.43) KCNH2AADATKDM4EALDH1A1HPGD
SCHEMBL10764531 0.84 AADAT (0.38) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9838924 0.83 KDM4E (0.38) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9837891 0.83 KDM4E (0.56) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9839287 0.83 KDM4E (0.45) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9839648 0.82 AADAT (0.41) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9838873 0.80 AADAT (0.41) KCNH2AADATKDM4EALDH1A1HPGD

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