SCHEMBL4908250

SCHEMBL4908250

CN1C(=C(C#N)C#N)Sc2ccc(C(=O)O)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
MAPT P10636 3/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NOX1 Q9Y5S8 1/20 0.45
TP53 P04637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MYC P01106 3/20 0.36
PABPC1 P11940 1/20 0.36
APOBEC3A P31941 1/20 0.36
EIF4H Q15056 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MARK4 Q96L34 1/20 0.35
HRH1 P35367 1/20 0.35
ESR1 P03372 1/20 0.34
ALOX15 P16050 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
SCHEMBL4908241 0.89 LMNA (0.45) LMNAMAPTMAPK1TDP1L3MBTL1
SCHEMBL25137471 0.71 MEN1 (0.40) LMNAMAPTL3MBTL1NOX1MEN1
SCHEMBL16431112 0.69 PABPC1 (0.70) LMNAMAPTMAPK1TDP1L3MBTL1
SCHEMBL6749150 0.69 LMNA (0.52) LMNAMAPTMAPK1TDP1L3MBTL1
SCHEMBL10986368 0.67 NOX1 (0.60) LMNAMAPTMAPK1TDP1L3MBTL1
SCHEMBL2636675 0.67 LMNA (1.00) LMNAMAPTMAPK1L3MBTL1TP53
SCHEMBL30270516 0.67 LMNA (1.00) LMNAMAPTMAPK1L3MBTL1TP53
SCHEMBL13750381 0.63 LMNA (0.44) LMNAMAPTMAPK1TDP1L3MBTL1
SCHEMBL1983443 0.62 NOX1 (1.00) LMNAMAPTMAPK1TDP1L3MBTL1
SCHEMBL25137472 0.62 ALDH1A1 (0.45) LMNAMAPTMAPK1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080107829-A1 Cellulose compound, cellulose film, optical compensation sheet, polarizing plate, and liquid crystal display device FUJIFILM CORPORATION (JP) 2008-05-08 US disclosed