SCHEMBL30013699

SCHEMBL30013699

C=CCOC(=O)c1ccc(OCC=C)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SNCA P37840 1/20 0.51
CYP3A4 P08684 1/20 0.47
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LSS P48449 1/20 0.39
NNMT P40261 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL23537696 1.00 MEN1 (0.53) MEN1KMT2ASNCACYP3A4MAPT
SCHEMBL23537814 0.86 MAPK1 (0.53) MAPTL3MBTL1NNMT
SCHEMBL7530322 0.84 MAPT (0.63) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL8055864 0.83 MEN1 (0.54) MEN1KMT2ASNCACYP3A4MAPT
SCHEMBL1461229 0.83 MEN1 (0.54) MEN1KMT2ASNCACYP3A4MAPT
SCHEMBL13563235 0.81 MEN1 (0.53) MEN1KMT2ASNCACYP3A4MAPT
SCHEMBL10664482 0.81 KMT2A (0.53) MEN1KMT2ASNCACYP3A4MAPT
SCHEMBL2661626 0.81 MEN1 (0.53) MEN1KMT2ASNCACYP3A4ALDH1A1
SCHEMBL8050188 0.80 MAPK1 (0.58) MEN1KMT2ASNCACYP3A4L3MBTL1
SCHEMBL175786 0.79 SNCA (0.67) MEN1KMT2ASNCACYP3A4ALDH1A1

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
EP-4077306-A1 COMPOUNDS AND PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2022-10-26 EP disclosed