SCHEMBL7845229

SCHEMBL7845229

CCc1c(C(=O)c2cc(C)cc(C)c2)[nH]c(=O)n(Cc2ccc(OC(F)(F)F)cc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.41
DDR1 Q08345 3/20 0.38
KLKB1 P03952 1/20 0.38
FEN1 P39748 1/20 0.38
ALOX5AP P20292 2/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GRIN2B Q13224 1/20 0.37
P2RX3 P56373 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
PTGS2 P35354 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL7846719 0.86 TYMS (0.41) TYMSFEN1ALDH1A1KDM4EGRIN2B
SCHEMBL6088338 0.85 TYMS (0.44) TYMSKLKB1ALOX5APALDH1A1MAPT
SCHEMBL7847016 0.81 TYMS (0.46) TYMSDDR1FEN1ALOX5APALDH1A1
SCHEMBL7846764 0.81 HSD17B10 (0.37) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7848458 0.81 MAPT (0.36) DDR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL7845884 0.81 GRIN1 (0.36) ALDH1A1MAPTMEN1KMT2AGRIN2B
SCHEMBL7849696 0.80 HSD17B10 (0.48) FEN1ALDH1A1MAPTKMT2AGRIN2B
SCHEMBL7844325 0.79 TYMS (0.35) TYMSDDR1ALDH1A1MAPTMEN1
SCHEMBL7847748 0.78 MAPT (0.41) ALDH1A1MAPTMEN1KMT2AP2RX3
SCHEMBL7848789 0.77 GRIN1 (0.43) ALDH1A1MEN1KMT2AKDM4EGRIN2B

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