SCHEMBL9837629

SCHEMBL9837629

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
PIM3 Q86V86 1/20 0.45
CSNK1G1 Q9HCP0 1/20 0.45
AADAT Q8N5Z0 2/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALB P02768 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TOP2A P11388 12/20 0.41
TOP2B Q02880 10/20 0.41
POLB P06746 2/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40

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
Hydrochloric Acid SCHEMBL9839219 0.99 PIM1 (0.44) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9837668 0.89 KCNH2 (0.41) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9839648 0.86 AADAT (0.41) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9839682 0.86 KDM4E (0.43) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9838924 0.85 KDM4E (0.38) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9837891 0.85 KDM4E (0.56) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9839287 0.85 KDM4E (0.45) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9839253 0.84 PIM1 (0.46) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL4186230 0.84 PIM1 (0.46) PIM1GSK3AGSK3BPIM3CSNK1G1
Hydrochloric Acid SCHEMBL9839631 0.83 PIM1 (0.45) PIM1GSK3AGSK3BPIM3CSNK1G1

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