SCHEMBL7849696

SCHEMBL7849696

CCc1c(C(=O)c2cc(C)cc(C)c2)[nH]c(=O)n(Cc2cccc(OC)c2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
HTR3A P46098 1/20 0.43
MIF P14174 2/20 0.42
CMA1 P23946 1/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
POLB P06746 1/20 0.41
CD74 P04233 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 3/20 0.40
IDH1 O75874 1/20 0.40
KMT2A Q03164 1/20 0.40
MTOR P42345 1/20 0.40
PLA2G2A P14555 1/20 0.40
FEN1 P39748 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL7846764 0.91 HSD17B10 (0.37) HSD17B10MTNR1AMTNR1BHTR3AALDH1A1
SCHEMBL7847168 0.85 MTNR1A (0.49) HSD17B10MTNR1AMTNR1BHTR3AMIF
SCHEMBL6089236 0.85 MTNR1A (0.48) HSD17B10MTNR1AMTNR1BMIFCMA1
SCHEMBL7847748 0.81 MAPT (0.41) POLBALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL7848789 0.81 GRIN1 (0.43) HSD17B10GRIN1GRIN2BALDH1A1KMT2A
SCHEMBL7836586 0.81 HSD17B10 (0.51) HSD17B10MTNR1AMTNR1BMIFCMA1
SCHEMBL7845229 0.80 TYMS (0.41) GRIN2BALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL7848458 0.80 MAPT (0.36) POLBALDH1A1MAPTKMT2ALMNA
SCHEMBL7844325 0.80 TYMS (0.35) POLBALDH1A1MAPTKMT2ATP53
SCHEMBL7845884 0.80 GRIN1 (0.36) GRIN1GRIN2BALDH1A1MAPTKMT2A

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