SCHEMBL9079476

SCHEMBL9079476

COc1c(N2CCNC3(CC3)C2)c(F)cc2c(=O)c(C(=O)O)cn(CCF)c12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 5/20 0.51
HPGD P15428 4/20 0.51
HSD17B10 Q99714 4/20 0.51
KCNH2 Q12809 4/20 0.51
POLB P06746 1/20 0.51
PRKD3 O94806 1/20 0.51
ALOX15 P16050 1/20 0.51
OPRM1 P35372 1/20 0.51
CLK2 P49760 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TOP1 P11387 7/20 0.49
PMP22 Q01453 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL9078747 0.92 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL9080323 0.90 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL9080171 0.89 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL9080438 0.87 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL9078290 0.87 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10KCNH2
Water SCHEMBL9773723 0.86 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL9078074 0.85 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL9080367 0.85 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL9078406 0.84 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL4713049 0.83 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10KCNH2

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