SCHEMBL3457424

SCHEMBL3457424

CN1CCOB(c2cccc(Cl)c2)OCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
BCL2A1 Q16548 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
KCNH2 Q12809 1/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 3/20 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
SCHEMBL500331 0.84 ALDH1A1 (0.37) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL3458156 0.82 ACHE (0.35) ALDH1A1BCL2A1HTR2AHTR2CHRH4
SCHEMBL6829118 0.81 ALDH1A1 (0.36) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL3458032 0.81 CYP2C9 (0.41) KMT2AALDH1A1SMN1; SMN2HTR2AHTR2C
SCHEMBL3457590 0.80 ATM (0.42) KMT2AMEN1LMNAGAAALDH1A1
SCHEMBL12989225 0.79 POLB (0.39) LMNATSHRSMN1; SMN2HTR2AHTR2C
SCHEMBL31336168 0.77 ALDH1A1 (0.42) LMNAGAAMAPTUSP2ALDH1A1
SCHEMBL5892428 0.77 HTR2C (0.41) HTTHTR2AHTR2CSLC6A4
SCHEMBL16349451 0.75
SCHEMBL3559352 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1582250-B2 Absorbent with improved oxidation resistance and process for deacidifying fluid fluxes BASF SE (DE) 2022-03-09 EP disclosed
EP-1582250-B1 Absorbent with improved oxidation resistance and process for deacidifying fluid fluxes BASF SE (DE) 2013-05-15 EP disclosed
US-7666813-B2 an aliphatic amine, in particular an alkanolamine, and a non-hydroquinoid antioxidant for removal of CO2, H2S, SO2, CS2, HCN, COS, disulfides or mercaptans as impurities in reaction gases formed in the oxidation of organic materials to prevent the emission of above gases BASF AKTIENGESELLSCHAFT (DE) 2010-02-23 US disclosed
EP-1582250-A2 Absorbent with improved ocidation resistance and process for deacidifying fluid fluxes BASF AKTIENGESELLSCHAFT (DE) 2005-10-05 EP disclosed
US-20050202967-A1 an aliphatic amine, in particular an alkanolamine, and a non-hydroquinoid antioxidant for removal of CO2, H2S, SO2, CS2, HCN, COS, disulfides or mercaptans as impurities in reaction gases formed in the oxidation of organic materials to prevent the emission of above gases BASF AKTIENGESELLSCHAFT (DE) 2005-09-15 US disclosed