SCHEMBL7066678

SCHEMBL7066678

CCc1c(C(=O)c2cc(C)cc(C)c2)n(CCC2CCCC2)c(=O)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
RORC P51449 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
KDM4E B2RXH2 2/20 0.32
THRB P10828 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL7070169 0.89 KMT2A (0.36) KMT2AMEN1TDP1SMN1; SMN2ALDH1A1
SCHEMBL7067487 0.89 GRIN1 (0.39) HPGDKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL6088074 0.88 GRIN1 (0.39) HPGDKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL6087285 0.87 GRIN1 (0.39) HPGDKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL7071878 0.85 KMT2A (0.38) HPGDRORCKMT2AMEN1TDP1
SCHEMBL6087020 0.84 GRIN1 (0.43) KMT2AMEN1TDP1SMN1; SMN2ALDH1A1
SCHEMBL7070953 0.83 TDP1 (0.34) KMT2AMEN1TDP1SMN1; SMN2ALDH1A1
SCHEMBL12752168 0.81 KMT2A (0.40) HPGDKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL7841353 0.81 GRIN1 (0.34) HPGDKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL675478 0.80 KMT2A (0.35) KMT2AMEN1TDP1SMN1; SMN2ALDH1A1

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-0827498-B1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS SAMJIN PHARM CO LTD (KR) 2003-06-18 EP disclosed
US-5922727-A 1-((SUBSTITUTED)CYCLOALK(EN)YLALKYL)-6-((SUB)PHENYL(CARBONYL, SULFIDE, OR OXO))-2,4-PYRIMIDINEDIONE DERIVATIVES HAVING SUPERIOR ANTIVIRAL ACTIVITIES; HIV SAMJIN PHARMACEUTICAL CO., LTD (KR) 1999-07-13 US disclosed