SCHEMBL2829046

SCHEMBL2829046

C(=C/c1nnc(/C=C/c2ccccc2)o1)\c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
HPGD P15428 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
CYP1A2 P05177 4/20 0.61
NPC1 O15118 3/20 0.61
ALDH1A1 P00352 3/20 0.61
RAB9A P51151 3/20 0.61
CYP2C19 P33261 3/20 0.61
CYP2C9 P11712 3/20 0.61
CYP2D6 P10635 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
MAPT P10636 2/20 0.61
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
POLB P06746 1/20 0.53
GFER P55789 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51

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
SCHEMBL2829047 1.00 KDM4E (0.61) KDM4EHPGDSMN1; SMN2CYP1A2NPC1
SCHEMBL6568301 0.84 NPC1 (0.79) KDM4EHPGDSMN1; SMN2CYP1A2NPC1
SCHEMBL9003171 0.84 HPGD (0.59) KDM4EHPGDSMN1; SMN2CYP1A2NPC1
SCHEMBL195929 0.82 KDM4E (0.50) KDM4EHPGDSMN1; SMN2CYP1A2NPC1
SCHEMBL195928 0.82 KDM4E (0.50) KDM4EHPGDSMN1; SMN2CYP1A2NPC1
SCHEMBL195495 0.81 HPGD (0.49) KDM4EHPGDSMN1; SMN2CYP1A2NPC1
SCHEMBL4964164 0.81 ALDH1A1 (0.50) KDM4EHPGDSMN1; SMN2CYP1A2NPC1
SCHEMBL4964169 0.81 ALDH1A1 (0.50) KDM4EHPGDSMN1; SMN2CYP1A2NPC1
SCHEMBL8956501 0.81 KDM4E (0.49) KDM4EHPGDSMN1; SMN2CYP1A2NPC1
SCHEMBL195496 0.81 HPGD (0.49) KDM4EHPGDSMN1; SMN2CYP1A2NPC1

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-20100162666-A1 PACKAGING MATERIAL HAVING BIREFRINGENT PATTERN FUJIFILM CORPORATION (JP) 2010-07-01 US disclosed