SCHEMBL7758875

SCHEMBL7758875

Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2CC=Cc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ANXA2 P07355 2/20 0.35
S100A10 P60903 2/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 3/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 1/20 0.34
PKM P14618 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
SCHEMBL7758872 1.00 TSHR (0.38) TSHRLMNAKMT2AKDM4EMAPT
SCHEMBL7757674 0.86 KMT2A (0.36) LMNAKMT2AKDM4EMAPTHTT
SCHEMBL7757666 0.86 KMT2A (0.36) LMNAKMT2AKDM4EMAPTHTT
SCHEMBL7758261 0.86 KMT2A (0.36) LMNAKMT2AKDM4EMAPTHTT
SCHEMBL7757631 0.85 KMT2A (0.35) TSHRLMNAKMT2AKDM4EMAPT
SCHEMBL7757628 0.85 KMT2A (0.35) TSHRLMNAKMT2AKDM4EMAPT
SCHEMBL12752298 0.85 KMT2A (0.35) TSHRLMNAKMT2AKDM4EMAPT
SCHEMBL7756567 0.84 KMT2A (0.37) KMT2AMAPTSMN1; SMN2TP53MEN1
SCHEMBL7753955 0.84 KMT2A (0.35) KMT2AMEN1
SCHEMBL7753958 0.84 KMT2A (0.35) KMT2AMEN1

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