SCHEMBL7845923

SCHEMBL7845923

CCc1c(Oc2cc(C)cc(C)c2)[nH]c(=O)n(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 10/20 0.35
MAOB P27338 1/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
MAPT P10636 1/20 0.33
ADORA2B P29275 1/20 0.33
PLAT P00750 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
NR3C1 P04150 1/20 0.31

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
SCHEMBL7847258 0.89 ALDH1A1 (0.34) DDR1GRIN1GRIN2BMAPTKDM4E
SCHEMBL7844403 0.86 GRIN1 (0.37) GRIN1GRIN2BMAPTKDM4E
SCHEMBL7837064 0.84 HSD17B10 (0.39) GRIN1GRIN2BMAPTKDM4EHTT
SCHEMBL7847762 0.84 TYMS (0.38) DDR1MAPTKDM4E
SCHEMBL7847016 0.83 TYMS (0.46) DDR1MAPTKDM4ETSHR
SCHEMBL8189652 0.83 KDM4E (0.45) MAPTKDM4EHTTSMN1; SMN2TSHR
SCHEMBL6087627 0.83 TSHR (0.34) DDR1MAOBGRIN1GRIN2BMAPT
SCHEMBL7836586 0.79 HSD17B10 (0.51) GRIN1GRIN2BMAPTKDM4ETSHR
SCHEMBL7847304 0.78 GRIN1 (0.44) GRIN1GRIN2BCYP2D6
SCHEMBL7836051 0.76 MEN1 (0.33) GRIN1GRIN2BMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100786-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-05-23 EP disclosed
WO-2000061564-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-10-19 WO disclosed