SCHEMBL7758317

SCHEMBL7758317

C=CCn1c(Sc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 4/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 3/20 0.35
CYP2C19 P33261 2/20 0.34
RECQL P46063 1/20 0.34
BRD4 O60885 1/20 0.34
BRDT Q58F21 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 2/20 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
SCHEMBL7756702 0.87 SMN1; SMN2 (0.35) KMT2ASMN1; SMN2PKMALDH1A1KDM4E
SCHEMBL7757670 0.87 ALDH1A1 (0.36) KMT2ASMN1; SMN2LMNAPKMALDH1A1
SCHEMBL7756712 0.87 SMN1; SMN2 (0.35) KMT2ASMN1; SMN2PKMALDH1A1KDM4E
SCHEMBL7757675 0.87 ALDH1A1 (0.36) KMT2ASMN1; SMN2LMNAPKMALDH1A1
SCHEMBL7757658 0.85 SMN1; SMN2 (0.33) SMN1; SMN2PKM
SCHEMBL7758304 0.85 SMN1; SMN2 (0.33) KMT2ASMN1; SMN2PKMMEN1
SCHEMBL7758302 0.85 SMN1; SMN2 (0.33) KMT2ASMN1; SMN2PKMMEN1
SCHEMBL7757656 0.85 SMN1; SMN2 (0.33) SMN1; SMN2PKM
SCHEMBL7757667 0.84 LMNA (0.52) KMT2ASMN1; SMN2LMNAPKMALDH1A1
SCHEMBL7756651 0.83 MEN1 (0.32) KMT2ASMN1; SMN2PKMMEN1

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