SCHEMBL9079571

SCHEMBL9079571

Nc1c(F)c(N2CC(N)C3(CC3)C2)c(F)c2c1c(=O)c(C(=O)O)cn2CCF

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
CACNA1F O60840 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FOXO1 Q12778 1/20 0.38
GSK3B P49841 9/20 0.38
ALDH1A1 P00352 3/20 0.37
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SLC2A1 P11166 1/20 0.36
PMP22 Q01453 1/20 0.35
STAT3 P40763 1/20 0.34

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
SCHEMBL9080205 0.92 KDM4E (0.41) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9080703 0.91 CACNA1F (0.48) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9080477 0.84 KDM4E (0.65) KCNH2POLBMAPK1KDM4EALDH1A1
SCHEMBL9080377 0.84 POLB (0.43) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9079484 0.83 CACNA1F (0.67) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9078295 0.83 CACNA1F (0.47) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL13483620 0.82 CACNA1F (0.53) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9077990 0.81 KDM4E (0.63) KCNH2POLBKDM4EALDH1A1HPGD
SCHEMBL10684793 0.80 KCNH2 (0.51) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9078721 0.79 KDM4E (0.46) KCNH2CACNA1FPOLBMAPK1CACNA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508428-A Spiro compound DAIICHI PHAMACEUTICAL CO., LTD. (JP) 1996-04-16 US disclosed
US-5286723-A Spiro compound DAIICHI SEIYAKU CO., LTD. 1994-02-15 US disclosed
EP-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 EP disclosed
EP-0529688-A2 Azaspiro n,m alkanes and diazaspiro n,m -alkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
EP-0357047-A1 Spiro compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-03-07 EP disclosed