SCHEMBL9077946

SCHEMBL9077946

Nc1c(F)c(N2CCNC3(CC3)C2)c(Cl)c2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.39
TOP1 P11387 6/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
EPHA2 P29317 1/20 0.38
FLT4 P35916 1/20 0.38
GSK3B P49841 1/20 0.38
RARB P10826 1/20 0.38
TBXAS1 P24557 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TOP2B Q02880 2/20 0.36
POLB P06746 3/20 0.36
CACNA1F O60840 1/20 0.36
MAPK1 P28482 1/20 0.36
CACNA1D Q01668 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL9079541 0.93 POLB (0.41) TOP2ATOP1KMT2AKDM4EALDH1A1
SCHEMBL9079450 0.85 TOP2A (0.46) TOP2ATOP1KMT2AKDM4EALDH1A1
SCHEMBL9079678 0.83 TOP2A (0.45) TOP2ATOP1KMT2AKDM4EALDH1A1
SCHEMBL9078492 0.82 KDM4E (0.48) TOP2ATOP1KMT2AKDM4EALDH1A1
SCHEMBL9077644 0.82 POLB (0.39) TOP2ATOP1KMT2AKDM4EALDH1A1
SCHEMBL9080138 0.82 EPHA2 (0.43) TOP2ATOP1KMT2AKDM4EALDH1A1
SCHEMBL9077977 0.80 POLB (0.55) TOP2AKMT2AALDH1A1GSK3BTOP2B
SCHEMBL9080161 0.80 KDM4E (0.43) TOP2AKDM4EALDH1A1LMNAHPGD
SCHEMBL9080126 0.80 KDM4E (0.42) KMT2AKDM4EALDH1A1LMNAHPGD
SCHEMBL9080384 0.79 KDM4E (0.49) TOP2ATOP1KMT2AKDM4EALDH1A1

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