SCHEMBL9080327

SCHEMBL9080327

O=C(O)c1cn(-c2ccc(F)cc2F)c2nc(N3CCNC4(CC4)C3)c(F)cc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
EPHA2 P29317 1/20 0.63
FLT4 P35916 1/20 0.63
GSK3B P49841 1/20 0.63
RARB P10826 1/20 0.63
TBXAS1 P24557 1/20 0.63
SLC6A3 Q01959 1/20 0.63
LMNA P02545 6/20 0.58
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 5/20 0.58
HPGD P15428 4/20 0.58
HSD17B10 Q99714 4/20 0.58
POLB P06746 2/20 0.58
HTT P42858 2/20 0.58
XBP1 P17861 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
CYP2C9 P11712 2/20 0.49
ATP6V1B2 P21281 1/20 0.49

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
SCHEMBL312827 0.86 KMT2A (0.71) KMT2AEPHA2FLT4GSK3BRARB
Hydrochloric Acid SCHEMBL10551298 0.86 KMT2A (0.70) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9080289 0.85 KDM4E (0.60) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL14499425 0.83 KMT2A (0.75) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9078492 0.83 KDM4E (0.48) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL5572268 0.83 KMT2A (0.62) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9077987 0.82 LMNA (0.52) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL10902308 0.82 KMT2A (0.72) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9717969 0.82 KMT2A (0.60) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9080354 0.81 DPP4 (0.56) KMT2ALMNAKDM4EALDH1A1HPGD

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