SCHEMBL9080367

SCHEMBL9080367

COc1c(N2CCNC3(CC3)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.72
KCNH2 Q12809 5/20 0.72
ALDH1A1 P00352 5/20 0.72
HPGD P15428 4/20 0.72
POLB P06746 3/20 0.72
HSD17B10 Q99714 2/20 0.72
TDP1 Q9NUW8 2/20 0.72
OPRM1 P35372 2/20 0.72
PRKD3 O94806 1/20 0.72
ALOX15 P16050 1/20 0.72
CLK2 P49760 1/20 0.72
CLK4 Q9HAZ1 1/20 0.72
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
LMNA P02545 2/20 0.58
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
ATM Q13315 1/20 0.52
GSK3B P49841 1/20 0.50

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
SCHEMBL9080919 0.90 ALDH1A1 (0.57) KDM4EKCNH2ALDH1A1HPGDPOLB
SCHEMBL4713049 0.90 KDM4E (0.58) KDM4EKCNH2ALDH1A1HPGDPOLB
SCHEMBL7108974 0.90 KDM4E (0.58) KDM4EKCNH2ALDH1A1HPGDPOLB
SCHEMBL11975675 0.88 KDM4E (0.81) KDM4EKCNH2ALDH1A1HPGDPOLB
SCHEMBL9079551 0.87 ALDH1A1 (0.56) KDM4EKCNH2ALDH1A1HPGDPOLB
SCHEMBL9078545 0.87 ALDH1A1 (0.65) KDM4EKCNH2ALDH1A1HPGDPOLB
SCHEMBL1155026 0.87 KDM4E (0.80) KDM4EKCNH2ALDH1A1HPGDPOLB
Methyl Alcohol SCHEMBL29163210 0.86 KDM4E (0.79) KDM4EKCNH2ALDH1A1HPGDPOLB
Water SCHEMBL28828205 0.86 KDM4E (0.79) KDM4EKCNH2ALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL9751979 0.86 KDM4E (0.79) KDM4EKCNH2ALDH1A1HPGDPOLB

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