SCHEMBL8032280

SCHEMBL8032280

C=CCNC(=O)C(=C)C.C=CCNCC=C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 1/20 0.39
FAAH O00519 1/20 0.39
ALDH1A1 P00352 5/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TGFBR1 P36897 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL30604 0.94
Ammonia Solution, Strong SCHEMBL1326687 0.91 TSHR (0.45) TSHRSMN1; SMN2MAPTKDM4EKMT2A
Ammonia Solution, Strong SCHEMBL9663785 0.91 TSHR (0.45) TSHRSMN1; SMN2MAPTKDM4EKMT2A
Hydrochloric Acid SCHEMBL10610285 0.91 TSHR (0.45) TSHRSMN1; SMN2MAPTKDM4EKMT2A
Dimethylamine SCHEMBL3953015 0.89 TSHR (0.43) TSHRSMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL8600902 0.88 FAAH (0.37) TSHRSMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL8530629 0.85 FAAH (0.39) TSHRSMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL18579931 0.84 SMN1; SMN2 (0.35) TSHRSMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL4843584 0.84 TSHR (0.45) TSHRSMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL9058094 0.81 KDM4E (0.41) TSHRSMN1; SMN2MAPTKDM4EKMT2A

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
US-6102997-A COLORED INK APPLIED TO RECORDING MATERIAL WITH INK JET NOZZLE AGFA GEVAERT N.V. (BE) 2000-08-15 US disclosed