SCHEMBL7756553

SCHEMBL7756553

Cc1cc(C)cc(Cc2c(C(C)C)c(=O)[nH]c(=O)n2C/C=C/c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.36
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 3/20 0.35
USP2 O75604 2/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ANXA2 P07355 1/20 0.35
S100A10 P60903 1/20 0.35
DAO P14920 2/20 0.34
MEN1 O00255 1/20 0.34
TK1 P04183 2/20 0.34
DHFR P00374 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
SCHEMBL7756562 1.00 TSHR (0.37) TSHRTP53KDM4EPKMMAPT
SCHEMBL7258543 0.87 ALDH1A1 (0.38) KDM4EMAPTLMNAALDH1A1KMT2A
SCHEMBL7759873 0.85 ALDH1A1 (0.36) TSHRTP53KDM4EMAPTLMNA
SCHEMBL7759871 0.85 ALDH1A1 (0.36) TSHRTP53KDM4EMAPTLMNA
SCHEMBL7758268 0.84 TP53 (0.36) TSHRTP53KDM4EMAPTLMNA
SCHEMBL7758263 0.84 TP53 (0.36) TSHRTP53KDM4EMAPTLMNA
SCHEMBL9009374 0.83 TP53 (0.38) TSHRTP53KDM4EPKMMAPT
SCHEMBL7757660 0.81 TSHR (0.36) TSHRTP53KDM4EMAPTLMNA
SCHEMBL7757657 0.81 TSHR (0.36) TSHRTP53KDM4EMAPTLMNA
SCHEMBL7758839 0.81 TP53 (0.37) TSHRTP53KDM4EMAPTLMNA

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