SCHEMBL28526302

SCHEMBL28526302

C=CC(=O)C(CN)C(=O)C=C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
ALDH1A1 P00352 4/20 0.38
FGFR4 P22455 1/20 0.38
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
BLM P54132 1/20 0.30
SLC6A3 Q01959 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9015301 0.90 LMNA (0.36) TSHRALDH1A1FGFR4LMNASLC6A2
SCHEMBL3288838 0.80 MEN1 (0.36) TSHRMEN1KMT2A
SCHEMBL1129429 0.76
SCHEMBL588667 0.76
SCHEMBL1486026 0.75 GABRR1 (0.43) TSHRALDH1A1FGFR4LMNASLC6A2
Hydrochloric Acid SCHEMBL28726385 0.74
SCHEMBL5615665 0.72 GRIK1 (0.35) TSHRALDH1A1FGFR4LMNAMAPK1
SCHEMBL17335978 0.72 CPB2 (0.44) TSHRALDH1A1LMNASLC6A2SLC6A4
SCHEMBL2220364 0.71 GSR (0.50) TSHRALDH1A1LMNASLC6A2BLM
SCHEMBL17335975 0.69 GSR (0.48) ALDH1A1LMNASLC6A2BLMSLC6A3

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-112457491-A Hyperbranched polyamide-amine HPAA and preparation method and application thereof 华南师范大学 2021-03-09 CN disclosed