SCHEMBL7758261

SCHEMBL7758261

CCc1c(C(=O)c2cc(C)cc(C)c2)n(C/C=C\c2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 4/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 1/20 0.35
ANXA2 P07355 1/20 0.35
S100A10 P60903 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TK1 P04183 1/20 0.34

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
SCHEMBL7757674 1.00 KMT2A (0.36) KMT2ALMNAKDM4EMAPTHTT
SCHEMBL7757666 1.00 KMT2A (0.36) KMT2ALMNAKDM4EMAPTHTT
SCHEMBL7758875 0.86 TSHR (0.38) KMT2ALMNAKDM4EMAPTHTT
SCHEMBL7758872 0.86 TSHR (0.38) KMT2ALMNAKDM4EMAPTHTT
SCHEMBL7759929 0.85 KMT2A (0.36) KMT2ALMNAKDM4EMAPTSMN1; SMN2
SCHEMBL7757655 0.85 KMT2A (0.36) KMT2ALMNAKDM4EMAPTHTT
SCHEMBL7757663 0.85 KMT2A (0.36) KMT2ALMNAKDM4EMAPTHTT
SCHEMBL7757700 0.85 KMT2A (0.36) KMT2ALMNAKDM4EMAPTHTT
SCHEMBL7759930 0.85 KMT2A (0.36) KMT2ALMNAKDM4EMAPTSMN1; SMN2
SCHEMBL9009278 0.84 TP53 (0.37) MAPTTP53ALDH1A1PPARGPPARA

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