SCHEMBL23401136

SCHEMBL23401136

CC(C)Cn1[nH]cc(-c2ccccc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DPP4 P27487 2/20 0.40
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
GRM2 Q14416 1/20 0.38
BRD4 O60885 1/20 0.37

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
SCHEMBL23403296 0.86 RGS4 (0.39) MEN1KMT2AGAANPC1SMN1; SMN2
SCHEMBL23400222 0.84 MEN1 (0.41) MEN1KMT2AGAANPC1SMN1; SMN2
SCHEMBL23400853 0.81 MEN1 (0.44) MEN1KMT2AGAANPC1SMN1; SMN2
SCHEMBL23402050 0.81 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL23398866 0.79 ALDH1A1 (0.47) MEN1KMT2AGAANPC1SMN1; SMN2
SCHEMBL23398967 0.76 MEN1 (0.52) MEN1KMT2AGAANPC1ALDH1A1
SCHEMBL23403075 0.75 MEN1 (0.44) MEN1KMT2AGAANPC1SMN1; SMN2
SCHEMBL23398805 0.72 SMN1; SMN2 (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL23402400 0.72 MEN1 (0.47) MEN1KMT2AGAANPC1SMN1; SMN2
SCHEMBL11634515 0.71 PGR (0.46) MEN1KMT2AGAANPC1ALDH1A1

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed