SCHEMBL23403554

SCHEMBL23403554

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 7/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
PKM P14618 1/20 0.39
FPR2 P25090 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL23403341 0.92 GAA (0.44) KMT2AMEN1NPSR1GAAPOLB
SCHEMBL23403170 0.90 CNR1 (0.44) KMT2AMEN1NPSR1GAACNR1
SCHEMBL23403451 0.87 ALDH1A1 (0.44) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL23400334 0.86 KMT2A (0.38) KMT2AMEN1NPSR1GAACNR1
SCHEMBL23403259 0.85 KMT2A (0.38) KMT2AMEN1NPSR1GAACNR1
SCHEMBL23403006 0.84 KMT2A (0.37) KMT2AMEN1NPSR1GAACNR1
SCHEMBL23403198 0.82 TSHR (0.45) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL23403325 0.82 ALDH1A1 (0.42) KMT2AMEN1NPSR1GAAALDH1A1
SCHEMBL23403092 0.81 KMT2A (0.53) KMT2AGAACNR1CNR2POLB
SCHEMBL23402925 0.79 ALDH1A1 (0.58) KMT2AMEN1GAAALDH1A1LMNA

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