SCHEMBL2805571

SCHEMBL2805571

C=C(C)C(=O)OCCN(C(N)=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 3/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 6/20 0.36
RAB9A P51151 6/20 0.36
NPC1 O15118 5/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAOA P21397 1/20 0.36
POLB P06746 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
MCHR1 Q99705 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
SCHEMBL28055853 0.85 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6924950 0.81 HTT (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16678518 0.78 TDP1 (0.37) CYP1A2CYP2D6CYP2C19TSHRMAPK1
SCHEMBL28055947 0.77 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL28826510 0.75 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
9,10-Phenanthrenequinone SCHEMBL11054513 0.74 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL28338407 0.73 MEN1 (0.45) MAPK1KDM4EALDH1A1RAB9ANPC1
SCHEMBL1326466 0.72 HTT (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12705822 0.71 MAPT (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13144122 0.71 MAPT (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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-8912248-B2 Pigment dispersion and ink composition, curable composition and curable ink composition making use of the same FUJIFILM CORPORATION (JP) 2014-12-16 US disclosed
EP-2233536-B1 Pigment dispersion and ink composition, curable composition and curable ink composition making use of the same FUJIFILM CORP (JP) 2012-05-16 EP disclosed
EP-2233536-A1 Pigment dispersion and ink composition, curable composition and curable ink composition making use of the same Fujifilm Corporation (JP) 2010-09-29 EP disclosed
US-20100240830-A1 PIGMENT DISPERSION AND INK COMPOSITION, CURABLE COMPOSITION AND CURABLE INK COMPOSITION MAKING USE OF THE SAME FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed