SCHEMBL4084710

SCHEMBL4084710

C/C(=C\c1ccc2ccccc2c1)C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.49
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.46
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
SLC9A1 P19634 1/20 0.45
SLC9A3 P48764 1/20 0.45
SLC9A2 Q9UBY0 1/20 0.45
AKR1C3 P42330 1/20 0.45

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
SCHEMBL4084715 1.00 DHODH (0.49) DHODHLMNAKDM4EALDH1A1MEN1
SCHEMBL31623020 1.00 DHODH (0.49) DHODHLMNAKDM4EALDH1A1MEN1
SCHEMBL27643098 0.87 CYP3A4 (0.47) DHODHKDM4EALDH1A1MEN1HPGD
SCHEMBL7871353 0.85 SLC9A1 (0.41) DHODHKDM4EALDH1A1MEN1KMT2A
SCHEMBL51774 0.84 AKR1C3 (0.63) DHODHKDM4EALDH1A1AKR1C3L3MBTL1
SCHEMBL29966982 0.84 AKR1C3 (0.63) DHODHKDM4EALDH1A1AKR1C3L3MBTL1
SCHEMBL122093 0.84 AKR1C3 (0.63) DHODHKDM4EALDH1A1AKR1C3L3MBTL1
SCHEMBL6780337 0.83 DHODH (0.49) DHODHKDM4EALDH1A1AKR1C3L3MBTL1
Hydrochloric Acid SCHEMBL6780341 0.83 AKR1C3 (0.61) DHODHKDM4EALDH1A1AKR1C3L3MBTL1
Hydrochloric Acid SCHEMBL27571578 0.83 AKR1C3 (0.61) DHODHKDM4EALDH1A1AKR1C3L3MBTL1

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
WO-2019196714-A1 N-SUBSTITUTED ACRYLAMIDE DERIVATIVE AS DHODH INHIBITOR, AND PREPARATION AND USE THEREOF 华东理工大学 2019-10-17 WO disclosed
US-7500895-B2 Patterned substrate, electro-optical device, and method for manufacturing an electro-optical device SEIKO EPSON CORPORATION (JP) 2009-03-10 US disclosed
US-20060127563-A1 Patterned substrate, electro-optical device, and method for manufacturing an electro-optical device SEIKO EPSON CORPORATION (JP) 2006-06-15 US disclosed
US-20050287392-A1 Organic electroluminescent device, method for producing the same, and electronic apparatus SEIKO EPSON CORPORATION (JP) 2005-12-29 US disclosed