SCHEMBL5535855

SCHEMBL5535855

CN1C(=O)c2ccc(C(F)(F)F)cc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 3/20 0.50
HPGD P15428 3/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
ALOX15 P16050 1/20 0.47
APP P05067 6/20 0.46
PARP1 P09874 1/20 0.44
PARP10 Q53GL7 1/20 0.44
TDP2 O95551 1/20 0.44
NR1H3 Q13133 2/20 0.43
NR1H2 P55055 1/20 0.43
CASP3 P42574 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NOTUM Q6P988 1/20 0.42
POLB P06746 1/20 0.42
CA12 O43570 1/20 0.41

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
SCHEMBL9610285 0.87 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDMEN1MAPT
SCHEMBL4549126 0.85 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDMEN1MAPT
SCHEMBL12570996 0.85 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDMEN1MAPT
SCHEMBL14726193 0.84 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDMEN1MAPT
SCHEMBL10053400 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDMEN1MAPT
SCHEMBL15043753 0.82 NR1H3 (0.58) ALDH1A1HSD17B10HPGDMEN1MAPT
SCHEMBL28986832 0.82 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDMEN1MAPT
SCHEMBL14310856 0.81 ALDH1A1 (0.51) ALDH1A1HSD17B10HPGDMEN1MAPT
SCHEMBL1786408 0.81 RAB9A (0.43) ALDH1A1MEN1MAPTKMT2AMAPK1
SCHEMBL15233557 0.81 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDMEN1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168327-B2 Imide derivative, material for organic electroluminescent device and organic electroluminescent device using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-05-01 US disclosed
US-8168327-B2 Imide derivative, material for organic electroluminescent device and organic electroluminescent device using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-05-01 US disclosed
US-20070160905-A1 NOVEL IMIDE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-07-12 US disclosed
US-20070160905-A1 NOVEL IMIDE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-07-12 US disclosed