SCHEMBL8620760

SCHEMBL8620760

O=Cc1ccc(N(Cc2ccccc2)c2ccc(C=O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.49
ALDH1A1 P00352 4/20 0.48
CYP2A6 P11509 2/20 0.48
ALDH3A1 P30838 1/20 0.47
ALDH1A3 P47895 1/20 0.47
CYP2A13 Q16696 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KCNA3 P22001 1/20 0.43
G6PC1 P35575 1/20 0.42
CNR2 P34972 1/20 0.42
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MCL1 Q07820 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MITF O75030 1/20 0.39

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
SCHEMBL6924153 0.98 NR3C2 (0.51) NR3C2ALDH1A1CYP2A6ALDH3A1ALDH1A3
SCHEMBL6928851 0.92 HDAC1 (0.51) NR3C2ALDH1A1CYP2A6ALDH3A1ALDH1A3
SCHEMBL6927897 0.87 HDAC1 (0.48) NR3C2ALDH1A1CYP2A6ALDH3A1ALDH1A3
SCHEMBL1165356 0.85 CYP2C19 (0.58) ALDH1A1CYP2A6ALDH3A1ALDH1A3CYP2A13
SCHEMBL4049989 0.81 CYP2A6 (0.52) ALDH1A1CYP2A6ALDH3A1ALDH1A3CYP2A13
SCHEMBL9446230 0.81 NR3C2 (0.59) NR3C2ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL4747974 0.80 TSHR (0.70) ALDH1A1ALDH3A1ALDH1A3CNR2TSHR
Biphenyl SCHEMBL9239362 0.80 CYP2C19 (0.53) ALDH1A1CYP2A6ALDH3A1ALDH1A3CYP2A13
SCHEMBL918512 0.79 NR3C2 (0.56) NR3C2ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL7147228 0.78 ALDH1A1 (0.59) NR3C2ALDH1A1CYP2A6ALDH3A1ALDH1A3

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-0561562-B1 Heat-sensitive or pressure-sensitive recording material WIGGINS TEAPE GROUP LTD (GB) 1998-05-06 EP disclosed
US-5364830-A Heat or pressure sensitive elements THE WIGGINS TEAPE GROUP LIMITED (GB) 1994-11-15 US disclosed
EP-0561562-A1 Heat-sensitive or pressure-sensitive recording material The Wiggins Teape Group Limited (GB) 1993-09-22 EP disclosed