SCHEMBL23786332

SCHEMBL23786332

CCN(CC)CCCNC(=O)c1cc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc(C(=O)NCCCN(CC)CC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
MCHR1 Q99705 1/20 0.48
TP53 P04637 2/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 2/20 0.48
TERT O14746 4/20 0.47
ATG4B Q9Y4P1 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL13380130 0.91 GRIN1 (0.60) GRIN1GRIN2AGRIN2BADORA2AADORA1
SCHEMBL23306823 0.86 GRIN1 (0.44) GRIN1GRIN2AGRIN2BTDP1ADORA2A
SCHEMBL23786281 0.84 TDP1 (0.65) TDP1MCHR1KMT2AMEN1HDAC3
SCHEMBL13078928 0.81 POLB (0.56) TDP1KMT2AMEN1HDAC3HDAC4
SCHEMBL23904108 0.81 TDP1 (0.64) TDP1MCHR1KMT2AMEN1HDAC3
SCHEMBL24418099 0.80 LMNA (0.66) TDP1MCHR1KMT2AMEN1HDAC3
SCHEMBL23786276 0.80 TDP1 (0.56) TDP1MCHR1KMT2AMEN1HDAC3
SCHEMBL12577300 0.80 TOP2A (0.63) GRIN1GRIN2AGRIN2BKMT2AMEN1
SCHEMBL13875721 0.78 GRIN1 (0.67) GRIN1GRIN2AGRIN2BTP53KMT2A
SCHEMBL21623603 0.78 TDP1 (0.56) TDP1MCHR1KMT2AMEN1HDAC3

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-20210278761-A1 COLORING PHOTOSENSITIVE COMPOSITION, FILM, COLOR FILTER, SOLID-STATE IMAGING ELEMENT, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2021-09-09 US disclosed