SCHEMBL23776306

SCHEMBL23776306

CC(=N)CCCCC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
SOAT1 P35610 2/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
FAAH O00519 1/20 0.41
PAOX Q6QHF9 2/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALOX15 P16050 3/20 0.37
BLM P54132 3/20 0.37
PMP22 Q01453 3/20 0.37
LMNA P02545 3/20 0.37
CNR1 P21554 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TARDBP Q13148 1/20 0.32
CES2 O00748 1/20 0.32

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
SCHEMBL26150437 0.94
SCHEMBL27532320 0.86
SCHEMBL16438998 0.80 SPHK2 (0.59) SPHK2SPHK1
SCHEMBL24753878 0.80 PAOX (0.52) PAOXPMP22LMNAALDH1A1CES2
SCHEMBL12019018 0.78 SPHK2 (0.41) KMT2AMEN1PAOXSPHK2SPHK1
SCHEMBL125606 0.78 KMT2A (0.48) KMT2ASOAT1TP53CYP1A2CYP3A4
SCHEMBL29000358 0.78 LMNA (0.61) KMT2AMEN1ALOX15PMP22LMNA
SCHEMBL1327434 0.77 PAOX (0.62) KMT2ASOAT1TP53CYP1A2CYP3A4
SCHEMBL5889691 0.77 SPHK2 (0.55) KMT2ASOAT1TP53CYP1A2CYP3A4
SCHEMBL25293705 0.75 KMT2A (0.52) KMT2ASOAT1TP53CYP1A2CYP3A4

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
WO-2021161887-A1 COMPOUND 住友化学株式会社 2021-08-19 WO disclosed