SCHEMBL6085665

SCHEMBL6085665

Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GRIN1 Q05586 4/20 0.33
GRIN2B Q13224 4/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
DAO P14920 1/20 0.32
MAPT P10636 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
NR3C1 P04150 1/20 0.31
TPH1 P17752 1/20 0.31
TPH2 Q8IWU9 1/20 0.31
CYP3A4 P08684 3/20 0.30
CYP2D6 P10635 3/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL6086546 0.89 TPH1 (0.34) TSHRHPGDHSD17B10GRIN1GRIN2B
SCHEMBL6085643 0.86 GRIN1 (0.36) GRIN1GRIN2BDAOKMT2A
SCHEMBL6086917 0.84 TSHR (0.34) TSHRHPGDHSD17B10GRIN1GRIN2B
SCHEMBL6086367 0.84 TYMS (0.37) TSHRHPGDMAPT
SCHEMBL6087279 0.84 ALDH1A1 (0.33) TSHRHPGDHSD17B10MAPTMEN1
SCHEMBL6086605 0.84 HPGD (0.42) TSHRHPGDHSD17B10MAPTMEN1
SCHEMBL7846744 0.83 DDR1 (0.33) TSHRGRIN1GRIN2BMAPTMEN1
SCHEMBL6086149 0.82 MTNR1A (0.35) TSHRHPGDGRIN1GRIN2BMAPT
SCHEMBL6086749 0.82 TYMS (0.43) TSHRHPGDHSD17B10GRIN2BDAO
SCHEMBL7837061 0.81 TPH1 (0.30) TSHRHPGDHSD17B10TPH1TPH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6987114-B1 Antiviral pyrimidinedione derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD (KR) 2006-01-17 US disclosed