SCHEMBL7757670

SCHEMBL7757670

C/C=C/Cn1c(Sc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
HPGD P15428 6/20 0.36
HSD17B10 Q99714 5/20 0.36
TSHR P16473 3/20 0.36
LMNA P02545 3/20 0.36
ALOX15 P16050 3/20 0.36
MAPK1 P28482 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NOD1 Q9Y239 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NOD2 Q9HC29 2/20 0.33
TNF P01375 1/20 0.33
TP53 P04637 1/20 0.33
CXCL8 P10145 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL7757675 1.00 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10TSHRLMNA
SCHEMBL7756712 0.91 SMN1; SMN2 (0.35) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL7756702 0.91 SMN1; SMN2 (0.35) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL7757656 0.88 SMN1; SMN2 (0.33) SMN1; SMN2PKM
SCHEMBL7757658 0.88 SMN1; SMN2 (0.33) SMN1; SMN2PKM
SCHEMBL7758302 0.88 SMN1; SMN2 (0.33) SMN1; SMN2PKMMEN1KMT2ATDP1
SCHEMBL7758304 0.88 SMN1; SMN2 (0.33) SMN1; SMN2PKMMEN1KMT2ATDP1
SCHEMBL7758317 0.87 KMT2A (0.39) ALDH1A1HPGDHSD17B10TSHRLMNA
SCHEMBL7756651 0.86 MEN1 (0.32) SMN1; SMN2PKMMEN1KMT2ATDP1
SCHEMBL8580011 0.85 TP53 (0.37) ALDH1A1HPGDHSD17B10TSHRLMNA

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