SCHEMBL23620434

SCHEMBL23620434

CNC(=O)C1CCN(C(=O)/C=C/c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.51
▸ USP2 O75604 8/20 0.42
▸ MEN1 O00255 8/20 0.42
▸ KMT2A Q03164 8/20 0.42
▸ ALDH1A1 P00352 7/20 0.42
▸ MAPT P10636 6/20 0.42
▸ GAA P10253 5/20 0.42
▸ LMNA P02545 5/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ TDP1 Q9NUW8 4/20 0.42
▸ RECQL P46063 3/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ CASP1 P29466 5/20 0.40
▸ CASP7 P55210 5/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ ALOX15 P16050 4/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ HTT P42858 3/20 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
SCHEMBL19519721 0.84 SLC16A3 (0.49) SLC16A3USP2MEN1KMT2AALDH1A1
SCHEMBL22651628 0.83 SLC16A3 (0.44) SLC16A3USP2MEN1KMT2AALDH1A1
SCHEMBL19519724 0.81 SLC16A3 (0.41) SLC16A3USP2MEN1KMT2AALDH1A1
SCHEMBL19519725 0.81 SLC16A3 (0.40) SLC16A3USP2MEN1KMT2AALDH1A1
SCHEMBL13486867 0.81 SLC16A3 (0.64) SLC16A3USP2MEN1KMT2AALDH1A1
SCHEMBL21886324 0.78 SLC16A3 (0.60) SLC16A3USP2MEN1KMT2AALDH1A1
SCHEMBL13486868 0.76 SLC16A3 (0.59) SLC16A3USP2MEN1KMT2AALDH1A1
SCHEMBL19519722 0.75 SLC16A3 (0.56) SLC16A3USP2MEN1KMT2AALDH1A1
SCHEMBL15133666 0.74 SLC16A3 (0.52) SLC16A3USP2MEN1KMT2AALDH1A1
SCHEMBL26307770 0.73 SLC16A3 (0.74) SLC16A3USP2MEN1KMT2AALDH1A1

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-2021137500-A1 REAL-TIME FLUORESCENCE IMAGING SENSOR FOR MEASURING GLUTATHIONE IN ENDOPLASMIC RETICULUM AND METHOD USING SAME 주식회사 셀투인 2021-07-08 — — WO disclosed
Send feedback