SCHEMBL8775388

SCHEMBL8775388

O=C(O)c1cn2c3c(cccc3c1=O)SCC2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 9/20 0.49
KDM4E B2RXH2 3/20 0.47
ADRA2B P18089 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CHRM1 P11229 1/20 0.39
BCL2L1 Q07817 3/20 0.38
BCL2 P10415 6/20 0.38
LMNA P02545 1/20 0.37
PARP1 P09874 2/20 0.37
RYR2 Q92736 1/20 0.36
NOTUM Q6P988 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
SCHEMBL25600150 0.90 MCL1 (0.52) MCL1KDM4EADRA2BMAPK1ALDH1A1
SCHEMBL6835175 0.88 MCL1 (0.42) MCL1KDM4EADRA2BMAPK1ALDH1A1
SCHEMBL5434419 0.76 MCL1 (0.41) MCL1KDM4EADRA2BMAPK1CHRM1
SCHEMBL6325566 0.75 MCL1 (0.43) MCL1KDM4EMAPK1ALDH1A1HSD17B10
SCHEMBL19779451 0.74 MCL1 (0.45) MCL1KDM4EBCL2PARP1
SCHEMBL8039755 0.74 HTR2A (0.49) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8775577 0.74 PARP1 (0.45) KDM4EADRA2BMAPK1ALDH1A1CHRM1
SCHEMBL2183758 0.73 MCL1 (0.49) MCL1KDM4ECHRM1BCL2L1LMNA
SCHEMBL28182064 0.73 PARP1 (0.50) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL11768838 0.72 KDM4E (0.42) KDM4EADRA2BMAPK1ALDH1A1HPGD

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 8 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
US-5066802-A Multistep process from 2,4-difluoro-3-chloronitrobenzene and mercaptoisopropanol or mercaptopropanediol MEDIOLANUM FARMACEUTICI SRL. (IT) 1991-11-19 US disclosed
US-4923859-A Pyrido-benzothiazine derivatives having high antibacterial activity and high bioavailability to tissues MEDIOLANUM FARMACEUTICI, S.R.L. (IT) 1990-05-08 US disclosed
EP-0357047-A1 Spiro compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-03-07 EP disclosed