SCHEMBL29752123

SCHEMBL29752123

COc1cc(N(CCO)CCO)ccc1N=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 6/20 0.43
TDP1 Q9NUW8 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
MMP14 P50281 1/20 0.43
RAB9A P51151 1/20 0.43
SLC16A3 O15427 2/20 0.37
SLC16A1 P53985 2/20 0.37
KDM4E B2RXH2 1/20 0.36
USP8 P40818 1/20 0.36
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL179136 1.00 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTTDP1KMT2A
Hydrochloric Acid SCHEMBL29361270 0.98 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPTTDP1KMT2A
Hydrochloric Acid SCHEMBL564874 0.98 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPTTDP1KMT2A
SCHEMBL12377727 0.87 CYBB (0.42) ALDH1A1L3MBTL1
SCHEMBL23611530 0.85 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTTDP1KMT2A
SCHEMBL30817926 0.85 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTTDP1KMT2A
SCHEMBL11188554 0.84 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPTKMT2ASMN1; SMN2
SCHEMBL29914670 0.84 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11766454 0.83 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPTKMT2ASMN1; SMN2
SCHEMBL9527481 0.81 SLC16A3 (0.49) ALDH1A1L3MBTL1TDP1SLC16A3SLC16A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114858886-A Electrochemical biosensor 南京晶捷生物科技有限公司 2022-08-05 CN claimed
CN-114858886-A Electrochemical biosensor 南京晶捷生物科技有限公司 2022-08-05 CN disclosed