SCHEMBL4382451

SCHEMBL4382451

C=CCNC(CNC(=O)C(=C)C)(NCC=C)NCC=C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
FAAH O00519 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TGFBR1 P36897 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
SCHEMBL5536767 0.79 TGFBR1 (0.32) TGFBR1
SCHEMBL30604 0.78
Ammonia Solution, Strong SCHEMBL1326687 0.77 TSHR (0.45) KMT2ATSHRSMN1; SMN2MAPTFAAH
Ammonia Solution, Strong SCHEMBL9663785 0.77 TSHR (0.45) KMT2ATSHRSMN1; SMN2MAPTFAAH
Hydrochloric Acid SCHEMBL10610285 0.77 TSHR (0.45) KMT2ATSHRSMN1; SMN2MAPTFAAH
SCHEMBL9486855 0.76 TSHR (0.46) KMT2ATSHRSMN1; SMN2MAPTFAAH
SCHEMBL5539476 0.75 TGFBR1 (0.34) TGFBR1
Dimethylamine SCHEMBL3953015 0.75 TSHR (0.43) KMT2ATSHRSMN1; SMN2MAPTFAAH
SCHEMBL5708682 0.74 ACHE (0.38) TSHR
SCHEMBL8032280 0.73 TSHR (0.42) KMT2ATSHRSMN1; SMN2MAPTFAAH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009031890-A2 A CARRIER PARTICLE FOR USE IN BIO-APPLICATIONS UNIVERSITEIT UTRECHT HOLDING B.V. (NL) 2009-03-12 WO disclosed
EP-2030632-A1 A carrier particle for use in bio-applications UMC Utrecht Holding B.V. (NL) 2009-03-04 EP disclosed