SCHEMBL31099152

SCHEMBL31099152

O=[N+]([O-])c1cc(Cl)c(Cl)cc1N1CCC(CO)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
MAPT P10636 8/20 0.55
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
CSF1R P07333 1/20 0.42
CTPS1 P17812 1/20 0.41

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
SCHEMBL23249961 1.00 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL359075 0.84 MAPK1 (0.66) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL18280057 0.80 ALDH1A1 (0.67) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL28978009 0.78 MAPT (0.50) ALDH1A1MAPTL3MBTL1LMNAMAPK1
SCHEMBL23983371 0.78 MAPT (0.48) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL30393204 0.78 MAPT (0.50) ALDH1A1MAPTL3MBTL1LMNAMAPK1
SCHEMBL9581594 0.78 MAPT (0.61) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL3535719 0.77 ALDH1A1 (0.77) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL16898892 0.77 GPR174 (0.44) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL25691062 0.77 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1

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-119019369-A Bifunctional molecules comprising an E3 ubiquitin ligase binding moiety linked to a BCL6 targeting moiety 阿尔维纳斯运营股份有限公司 2024-11-26 CN disclosed
CN-115397821-B Bifunctional molecules comprising an E3 ubiquitin ligase binding moiety linked to a BCL6 targeting moiety 阿尔维纳斯运营股份有限公司 2024-09-03 CN disclosed