SCHEMBL23798166

SCHEMBL23798166

CO/C(C)=C\CN1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CHRM5 P08912 2/20 0.36
CHRM3 P20309 2/20 0.36
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
PADI1 Q9ULC6 1/20 0.32
PADI4 Q9UM07 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
SLC6A4 P31645 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
APOBEC3A P31941 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL9404145 0.79 GBA1 (0.43) MEN1KMT2ACHRM5CHRM3HSD17B10
SCHEMBL7706864 0.74 MEN1 (0.35) MEN1KMT2ACHRM5CHRM3HSD17B10
SCHEMBL7706868 0.74 MEN1 (0.35) MEN1KMT2ACHRM5CHRM3HSD17B10
SCHEMBL7710812 0.74 MEN1 (0.35) MEN1KMT2ACHRM5CHRM3HSD17B10
SCHEMBL24209617 0.74 HSD17B10 (0.36) MEN1KMT2ACHRM5CHRM3HSD17B10
SCHEMBL13019344 0.73 CXCR4 (0.46) MEN1KMT2ACHRM5CHRM3SMN1; SMN2
SCHEMBL18970190 0.73 CHRM5 (0.40) MEN1KMT2ACHRM5CHRM3HSD17B10
SCHEMBL1234464 0.73 SIGMAR1 (0.38) MEN1KMT2ACHRM5CHRM3HSD17B10
Hydrochloric Acid SCHEMBL2594025 0.72 CXCR4 (0.44) MEN1KMT2ACHRM5CHRM3SMN1; SMN2
SCHEMBL1082345 0.71 HSD17B10 (0.38) CHRM5CHRM3HSD17B10SMN1; SMN2SIGMAR1

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
WO-2021178920-A1 COMPOUNDS FOR TARGETED DEGRADATION OF BRD9 C4 THERAPEUTICS, INC. (US) 2021-09-10 WO disclosed