SCHEMBL6640690

SCHEMBL6640690

CCc1c(NC(=O)Cc2cc(C)cc(C)c2)[nH]c(=O)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.40
POLB P06746 3/20 0.39
GBA1 P04062 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.36
TYMP P19971 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ADCY1 Q08828 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 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
SCHEMBL6641589 0.81 MAPK8 (0.39) MAPK8POLBGBA1SMN1; SMN2MAPT
SCHEMBL1484445 0.75 POLB (0.40) POLBGBA1MAPTTYMPKMT2A
SCHEMBL5197709 0.70 TYMP (0.38) SMN1; SMN2MAPTTYMPKDM4EALDH1A1
SCHEMBL6085497 0.68 PDE3B (0.41) POLBMAPTTYMPKDM4EMAPK1
SCHEMBL6089500 0.65 TPH1 (0.38) SMN1; SMN2KMT2AMEN1LMNAKDM4E
SCHEMBL17790717 0.64 MAPK8 (0.47) MAPK8POLBKMT2AMEN1ALDH1A1
SCHEMBL1484498 0.64 GBA1 (0.37) POLBGBA1MAPTTYMPKMT2A
SCHEMBL6086452 0.63 PDE3B (0.38) POLBSMN1; SMN2MAPTTYMPLMNA
SCHEMBL6086721 0.63 TYMP (0.37) POLBSMN1; SMN2TYMPKDM4EALDH1A1
SCHEMBL14423060 0.60 TYMP (0.47) SMN1; SMN2TYMPKMT2AMEN1LMNA

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-1159271-B1 ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2004-08-25 EP disclosed
US-6713486-B1 HIGH ACTIVITY AGAINST WILD-TYPE AND MUTANT HIV-1; LOW TOXICITY KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2004-03-30 US disclosed