SCHEMBL8775577

SCHEMBL8775577

O=C(O)c1cn2c3c(cccc3c1=O)C(=O)CC2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.45
KDM4E B2RXH2 5/20 0.41
CHRM1 P11229 1/20 0.39
POLB P06746 2/20 0.38
RECQL P46063 2/20 0.38
CASP6 P55212 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
LMNA P02545 1/20 0.38
TYMS P04818 1/20 0.36
APEX1 P27695 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ADRA2B P18089 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL2397570 0.83 PARP1 (0.48) PARP1KDM4EPOLBRECQLCASP6
SCHEMBL5434419 0.83 MCL1 (0.41) PARP1KDM4ECHRM1LMNAADRA2B
SCHEMBL11791172 0.79 CYP3A4 (0.43) PARP1TDP1ALDH1A1MAPK1
SCHEMBL11726717 0.78 KDM4E (0.39) KDM4ECHRM1POLBALDH1A1LMNA
SCHEMBL8039755 0.78 HTR2A (0.49) KDM4EALDH1A1LMNA
SCHEMBL28182064 0.74 PARP1 (0.50) PARP1KDM4ECHRM1ALDH1A1LMNA
SCHEMBL2183758 0.74 MCL1 (0.49) KDM4ECHRM1LMNA
SCHEMBL8775388 0.74 MCL1 (0.49) PARP1KDM4ECHRM1ALDH1A1LMNA
SCHEMBL11768838 0.73 KDM4E (0.42) PARP1KDM4ECHRM1POLBRECQL
SCHEMBL11163715 0.72 CSNK2A2 (0.41) KDM4ECHRM1POLBALDH1A1LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0529688-B1 Azaspiro(n,m)alkanes and diazaspiro(n,m)-alkanes DAIICHI SEIYAKU CO (JP) 1997-11-12 EP disclosed
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