SCHEMBL6089258

SCHEMBL6089258

Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 2/20 0.41
PSMD14 O00487 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL8210568 0.92 HPGD (0.39) KMT2AHPGDMEN1KDM4EPSMD14
SCHEMBL6088109 0.92 KMT2A (0.37) KMT2AHPGDMEN1KDM4EPSMD14
SCHEMBL6634103 0.91 KMT2A (0.38) KMT2AHPGDMEN1KDM4EHTT
SCHEMBL6086464 0.91 DAO (0.44) KMT2AHPGDMEN1KDM4EPSMD14
SCHEMBL6637345 0.90 GAA (0.39) KMT2AHPGDMEN1KDM4EPSMD14
SCHEMBL6086806 0.89 KMT2A (0.34) KMT2AHPGDMEN1KDM4EPSMD14
SCHEMBL6086784 0.89 ALDH1A1 (0.36) ALDH1A1MAPT
SCHEMBL6636291 0.88 KMT2A (0.33) KMT2AHPGDMEN1KDM4EPSMD14
SCHEMBL6087076 0.87 GRIN1 (0.43) HPGDKDM4EALDH1A1POLBPKM
SCHEMBL6085657 0.87 GRIN1 (0.36) KMT2AMEN1

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