SCHEMBL7758263

SCHEMBL7758263

CCc1c(Cc2cc(C)cc(C)c2)n(C/C=C/c2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
USP2 O75604 2/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DAO P14920 1/20 0.35
TK1 P04183 3/20 0.34
MEN1 O00255 1/20 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
SCHEMBL7758268 1.00 TP53 (0.36) TP53LMNAMAPTALDH1A1USP2
SCHEMBL7758249 0.92 LTA4H (0.39) LMNAMAPTALDH1A1USP2TSHR
SCHEMBL7758254 0.92 LTA4H (0.39) LMNAMAPTALDH1A1USP2TSHR
SCHEMBL7255873 0.87 ALDH1A1 (0.38) LMNAMAPTALDH1A1KMT2AKDM4E
SCHEMBL7756600 0.85 ALDH1A1 (0.37) TP53LMNAMAPTALDH1A1TSHR
SCHEMBL7756611 0.85 ALDH1A1 (0.37) TP53LMNAMAPTALDH1A1TSHR
SCHEMBL7756553 0.84 TSHR (0.37) TP53LMNAMAPTALDH1A1USP2
SCHEMBL7756562 0.84 TSHR (0.37) TP53LMNAMAPTALDH1A1USP2
SCHEMBL7757624 0.82 SMN1; SMN2 (0.39) TP53LMNAMAPTALDH1A1TSHR
SCHEMBL7757666 0.81 KMT2A (0.36) TP53LMNAMAPTALDH1A1USP2

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