SCHEMBL9080205

SCHEMBL9080205

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
POLB P06746 2/20 0.41
KCNH2 Q12809 2/20 0.41
CACNA1F O60840 1/20 0.41
MAPK1 P28482 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
ALDH1A1 P00352 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
FOXO1 Q12778 1/20 0.35
GSK3B P49841 10/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TOP2A P11388 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
SCHEMBL9079571 0.92 KCNH2 (0.47) KDM4EPOLBKCNH2CACNA1FMAPK1
SCHEMBL9080377 0.90 POLB (0.43) KDM4EPOLBKCNH2CACNA1FMAPK1
SCHEMBL9080555 0.84 POLB (0.57) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL9079454 0.84 KDM4E (0.53) KDM4EPOLBKCNH2ALDH1A1CHRM2
SCHEMBL9080499 0.83 POLB (0.41) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL9080703 0.83 CACNA1F (0.48) KDM4EPOLBKCNH2CACNA1FMAPK1
SCHEMBL9079944 0.81 KDM4E (0.52) KDM4EPOLBKCNH2ALDH1A1CHRM2
SCHEMBL9080477 0.80 KDM4E (0.65) KDM4EPOLBKCNH2MAPK1ALDH1A1
SCHEMBL9080126 0.80 KDM4E (0.42) KDM4EPOLBKCNH2CACNA1FMAPK1
SCHEMBL9080138 0.79 EPHA2 (0.43) KDM4EPOLBKCNH2CACNA1FMAPK1

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