SCHEMBL7756558

SCHEMBL7756558

CC/C=C/Cn1c(C(=O)c2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TK1 P04183 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 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
SCHEMBL7756567 1.00 KMT2A (0.37) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL7753955 0.91 KMT2A (0.35) KMT2AMEN1TDP1
SCHEMBL7753958 0.91 KMT2A (0.35) KMT2AMEN1TDP1
SCHEMBL7756677 0.90 MEN1 (0.34) KMT2AMEN1TDP1
SCHEMBL7756667 0.90 MEN1 (0.34) KMT2AMEN1TDP1
SCHEMBL7757628 0.90 KMT2A (0.35) KMT2AMEN1TDP1ALDH1A1TP53
SCHEMBL12752298 0.90 KMT2A (0.35) KMT2AMEN1TDP1ALDH1A1TP53
SCHEMBL7757631 0.90 KMT2A (0.35) KMT2AMEN1TDP1ALDH1A1TP53
SCHEMBL12752182 0.87 KMT2A (0.36) KMT2AMEN1TDP1
SCHEMBL7757684 0.86 TK1 (0.37) KMT2AMEN1TDP1TK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736015-B1 ANTIVIRAL 2,4-PYRIMIDINDIONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2001-03-07 EP disclosed
US-5747500-A VIRICIDES FOR AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1998-05-05 US disclosed
WO-1995018109-A1 NOVEL ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-07-06 WO disclosed