SCHEMBL6086995

SCHEMBL6086995

CCc1c(Sc2cc(C)cc(C)c2)n(Cc2c3ccccc3cc3ccccc23)c(=O)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
PSMD14 O00487 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.32
NOTUM Q6P988 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
DAO P14920 1/20 0.31

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
SCHEMBL6086545 0.85 HPGD (0.43) POLBMEN1TSHRKMT2AMAPK1
SCHEMBL6086314 0.85 HTT (0.33) POLBMEN1TSHRKMT2AHTT
SCHEMBL6086507 0.84 DAO (0.45) MEN1TSHRKMT2AMAPK1HTT
SCHEMBL7846972 0.83 CYP1A2 (0.34) POLBMEN1TSHRKMT2AMAPK1
SCHEMBL6087421 0.82 SMN1; SMN2 (0.37) MEN1TSHRKMT2AMAPK1HTT
SCHEMBL6086514 0.82 PDE10A (0.40) POLBMEN1TSHRKMT2AMAPK1
SCHEMBL6086609 0.80 GRIN1 (0.45) MEN1TSHRKMT2AMAPK1ADORA3
SCHEMBL7852074 0.79 HTT (0.30) HTTALDH1A1
SCHEMBL6088668 0.79 POLB (0.35) POLBMEN1TSHRKMT2AMAPK1
SCHEMBL6088271 0.79 NPBWR1 (0.35) POLBMEN1TSHRKMT2AMAPK1

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