SCHEMBL23403259

SCHEMBL23403259

CCCCn1c(=O)c(NC=O)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ADORA2B P29275 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PGR P06401 1/20 0.35
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35
RORB Q92753 1/20 0.35
POLB P06746 1/20 0.34
TSHR P16473 2/20 0.34
GAA P10253 3/20 0.34
PDE4A P27815 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
SCHEMBL23402909 0.93 SMN1; SMN2 (0.36) KMT2AMEN1ALDH1A1NPSR1CNR1
SCHEMBL23402699 0.87 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL23403554 0.85 KMT2A (0.44) KMT2AMEN1ALDH1A1NPSR1CNR1
SCHEMBL23400334 0.84 KMT2A (0.38) KMT2AMEN1ALDH1A1NPSR1CNR1
SCHEMBL23403520 0.83 NPC1 (0.43) KMT2AMEN1ALDH1A1CNR1CNR2
SCHEMBL23403006 0.82 KMT2A (0.37) KMT2AMEN1ALDH1A1NPSR1CNR1
SCHEMBL23400240 0.81 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2L3MBTL1TDP1POLB
SCHEMBL23401350 0.81 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1CNR1SMN1; SMN2
SCHEMBL23403548 0.80 SMN1; SMN2 (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL23403170 0.80 CNR1 (0.44) KMT2AMEN1ALDH1A1NPSR1CNR1

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed