SCHEMBL4190159

SCHEMBL4190159

CC(C)(C)c1ccc(C(=O)C(=O)c2cccc(C(=O)C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK9 Q9NPC2 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HDAC1 Q13547 1/20 0.52
ACHE P22303 3/20 0.51
CES2 O00748 4/20 0.50
SRD5A2 P31213 1/20 0.50
KCNK3 O14649 1/20 0.50
NR1H4 Q96RI1 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
CES1 P23141 3/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46

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
SCHEMBL14947050 0.88 CES2 (0.65) KCNK9HDAC1CES2SRD5A2CES1
SCHEMBL2853873 0.87 HDAC1 (0.64) MEN1KMT2ASMN1; SMN2HDAC1CES2
Water SCHEMBL8945938 0.86 CES2 (0.62) KCNK9HDAC1CES2SRD5A2CES1
SCHEMBL21867671 0.78 SIRT1 (0.65) KCNK9MEN1KMT2ASMN1; SMN2SRD5A2
SCHEMBL10944943 0.77 CES2 (0.46) ACHECES2CES1
SCHEMBL12451655 0.77 SRD5A2 (0.73) KCNK9MEN1KMT2ASMN1; SMN2HDAC1
SCHEMBL3630235 0.77 HDAC1 (0.57) MEN1KMT2ASMN1; SMN2HDAC1CES2
SCHEMBL4164594 0.77 SRD5A2 (0.61) KCNK9MEN1KMT2ASMN1; SMN2HDAC1
SCHEMBL12551369 0.77 SRD5A2 (0.73) KCNK9MEN1KMT2ASMN1; SMN2HDAC1
Ether SCHEMBL8945933 0.77 MAPT (0.53) KCNK9CES2SRD5A2CES1MAPT

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-1640402-B1 DIAMINE HAVING QUINOXALINE UNIT, POLYIMIDE PRECURSOR, POLYIMIDE AND USE THEREOF NISSAN CHEMICAL IND LTD (JP) 2009-02-11 EP disclosed
US-20060128937-A1 Diamine having quinoxaline unit, polyimide precursor, polyimide and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-15 US disclosed
EP-1640402-A1 DIAMINE HAVING QUINOXALINE UNIT, POLYIMIDE PRECURSOR, POLYIMIDE AND USE THEREOF Nissan Chemical Industries, Ltd. (JP) 2006-03-29 EP disclosed