SCHEMBL6087400

SCHEMBL6087400

Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2c3ccccc3cc3ccccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CNR1 P21554 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
CNR2 P34972 1/20 0.33
THPO P40225 1/20 0.33
MTOR P42345 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL7851082 0.93 DHODH (0.32)
SCHEMBL6088668 0.87 POLB (0.35) KDM4EALDH1A1HTTTSHRMAPK1
SCHEMBL6089258 0.85 KMT2A (0.41) KDM4EALDH1A1HTTCYP3A4HPGD
SCHEMBL6086464 0.85 DAO (0.44) KDM4EALDH1A1HTTCYP3A4HPGD
SCHEMBL6088109 0.82 KMT2A (0.37) KDM4EALDH1A1HTTCYP3A4HPGD
SCHEMBL6088424 0.82 CYP1A2 (0.38) KDM4EALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL10204282 0.81 KMT2A (0.36) CYP3A4MEN1KMT2ATDP1PARP1
SCHEMBL6636863 0.80 GRIN1 (0.44) KDM4EALDH1A1KMT2AGAAPOLB
SCHEMBL12752174 0.79 KMT2A (0.40) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL6634103 0.79 KMT2A (0.38) KDM4EALDH1A1HTTHPGDMEN1

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