SCHEMBL8971289

SCHEMBL8971289

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 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
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL8970956 0.84 MEN1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL8854362 0.81 MEN1 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL21573078 0.80 MEN1 (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL8971905 0.80 KMT2A (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL8854422 0.79 MEN1 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL24103992 0.78 MEN1 (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL17532413 0.78 ALDH1A1 (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL28372892 0.78 MEN1 (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL8971846 0.77 KMT2A (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL8971748 0.77 TSHR (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1

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