SCHEMBL2906839

SCHEMBL2906839

CC1Sc2ccccc2N1CCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOA P21397 1/20 0.35
KDM1A O60341 3/20 0.35
PPARG P37231 1/20 0.34
TP53 P04637 2/20 0.33
SLC22A1 O15245 1/20 0.33
PRNP P04156 1/20 0.33
CYP1A2 P05177 1/20 0.33
ADRB2 P07550 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL29603098 1.00 ALDH1A1 (0.38) ALDH1A1HPGDMEN1POLBKMT2A
SCHEMBL7534194 0.90 MAOA (0.37) ALDH1A1MEN1POLBKMT2AMAOA
SCHEMBL16709179 0.86 MAOA (0.42) ALDH1A1MEN1POLBKMT2AMAOA
SCHEMBL6313787 0.85 KDM1A (0.43) ALDH1A1POLBMAOAKDM1APPARG
SCHEMBL28399716 0.84 PIM1 (0.45) ALDH1A1MEN1POLBKMT2AMAOA
SCHEMBL21803246 0.84 KDM1A (0.39) ALDH1A1KDM1ACYP1A2HTR1ACYP2D6
SCHEMBL27907983 0.83 MEN1 (0.38) MEN1POLBKMT2AMAOAPPARG
SCHEMBL29221349 0.83 MAOA (0.34) ALDH1A1MEN1POLBKMT2AMAOA
SCHEMBL10602240 0.83 GSK3B (0.41) ALDH1A1KDM1ACYP1A2CYP2D6CYP2C19
SCHEMBL6233173 0.83 GSK3B (0.41) ALDH1A1KDM1ACYP1A2CYP2D6CYP2C19

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
CN-116490500-A Cyanine compound, dye containing same and application of cyanine compound 大连理工大学 2023-07-25 CN disclosed
WO-2022099658-A1 CYANINE COMPOUND, DYE CONTAINING CYANINE COMPOUND, AND APPLICATION OF CYANINE COMPOUND 大连理工大学 2022-05-19 WO disclosed
WO-2022100716-A1 CYANINE COMPOUND, DYE CONTAINING CYANINE COMPOUND, AND USE OF CYANINE COMPOUND 大连理工大学 2022-05-19 WO disclosed
EP-2217070-A1 NUCLEIC ACID FLUORESCENT STAINS Sigma-Aldrich Co. (US) 2010-08-18 EP disclosed
WO-2009064943-A1 NUCLEIC ACID FLUORESCENT STAINS SIGMA-ALDRICH CO. (US) 2009-05-22 WO disclosed