SCHEMBL8970959

SCHEMBL8970959

C=CC(C(=C)C)N1C(=O)C2C3C=CC(C3)C2C1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 2/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL8971766 0.81 KMT2A (0.67) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
SCHEMBL8971905 0.80 KMT2A (0.47) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
SCHEMBL8854422 0.79 MEN1 (0.55) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
SCHEMBL8972019 0.75 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
SCHEMBL8971846 0.74 KMT2A (0.54) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
SCHEMBL8971870 0.73 TSHR (0.48) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
SCHEMBL8971554 0.73 KMT2A (0.46) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
SCHEMBL16508660 0.72 MEN1 (0.73) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
SCHEMBL19678571 0.72 MEN1 (0.64) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
SCHEMBL20759128 0.72 MEN1 (0.64) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2

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-5521260-A ALKENYLNADIMIDE, VINYL COMPOUND, PHENOLIC RESIN MARUZEN PETROCHEMICAL CO., LTD. (JP) 1996-05-28 US disclosed