SCHEMBL7757631

SCHEMBL7757631

CC=CCn1c(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 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
ALOX15 P16050 2/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.32
NOD1 Q9Y239 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TNF P01375 1/20 0.30
TP53 P04637 1/20 0.30
CXCL8 P10145 1/20 0.30
MAPT P10636 1/20 0.30
NOD2 Q9HC29 1/20 0.30

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
SCHEMBL12752298 1.00 KMT2A (0.35) KMT2AMEN1TDP1ALDH1A1HPGD
SCHEMBL7757628 1.00 KMT2A (0.35) KMT2AMEN1TDP1ALDH1A1HPGD
SCHEMBL13956030 0.92 ALDH1A1 (0.32) KMT2AMEN1TDP1ALDH1A1HPGD
SCHEMBL1484440 0.90 MEN1 (0.32) KMT2AMEN1TDP1ALDH1A1HPGD
SCHEMBL1484441 0.90 MEN1 (0.32) KMT2AMEN1TDP1ALDH1A1HPGD
SCHEMBL7753955 0.90 KMT2A (0.35) KMT2AMEN1TDP1
SCHEMBL7756567 0.90 KMT2A (0.37) KMT2AMEN1TDP1ALDH1A1TP53
SCHEMBL7753958 0.90 KMT2A (0.35) KMT2AMEN1TDP1
SCHEMBL7756558 0.90 KMT2A (0.37) KMT2AMEN1TDP1ALDH1A1TP53
SCHEMBL7756677 0.89 MEN1 (0.34) KMT2AMEN1TDP1

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