SCHEMBL29099376

SCHEMBL29099376

C=CC(CCCC(N)=O)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
BLM P54132 2/20 0.38
MEN1 O00255 2/20 0.38
CYP2C19 P33261 2/20 0.38
TSHR P16473 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
ALOX15 P16050 1/20 0.35
PMP22 Q01453 1/20 0.35
FAAH O00519 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
SOAT1 P35610 1/20 0.31
ALDH1A1 P00352 1/20 0.31
FGFR4 P22455 1/20 0.31

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
SCHEMBL24340602 0.89 BLM (0.41) KMT2ABLMMEN1CYP2C19TSHR
SCHEMBL3862597 0.81 CA2 (0.50) KMT2AMEN1CYP2C19TSHRFAAH
SCHEMBL14527597 0.81 GSR (0.42) KMT2ABLMMEN1CYP2C19TSHR
SCHEMBL13493335 0.79 CA1 (0.44) KMT2AMEN1CYP2C19FAAHTP53
SCHEMBL24602574 0.79 FOLH1 (0.42) KMT2ABLMMEN1CYP2C19TSHR
SCHEMBL28754635 0.78 GPR84 (0.42) KMT2AMEN1CYP2C19FAAHTP53
SCHEMBL4457882 0.78 GPR84 (0.42) KMT2AMEN1CYP2C19FAAHTP53
SCHEMBL7788154 0.78 GPR84 (0.42) KMT2AMEN1CYP2C19FAAHTP53
SCHEMBL4474432 0.78 GPR84 (0.42) KMT2AMEN1CYP2C19FAAHTP53
SCHEMBL24136808 0.76 KMT2A (0.59) KMT2ABLMMEN1CYP2C19TSHR

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
CN-116568475-A Method for producing molded body by compression molding 帝人株式会社 2023-08-08 CN disclosed