SCHEMBL28875129

SCHEMBL28875129

OC=Cc1c(Cl)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
HSP90AA1 P07900 1/20 0.48
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
SLC22A1 O15245 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
MAOA P21397 1/20 0.42
DRD1 P21728 1/20 0.42
TBXA2R P21731 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL131082 0.78 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1TDP1HSP90AA1
SCHEMBL672549 0.76 KMT2A (0.52) KMT2AMEN1ALDH1A1TDP1HSP90AA1
SCHEMBL672550 0.76 KMT2A (0.52) KMT2AMEN1ALDH1A1TDP1HSP90AA1
SCHEMBL2090946 0.74 KMT2A (0.50) KMT2AMEN1ALDH1A1TDP1HSP90AA1
SCHEMBL3434659 0.74 KMT2A (0.50) KMT2AMEN1ALDH1A1TDP1HSP90AA1
SCHEMBL2090950 0.74 KMT2A (0.50) KMT2AMEN1ALDH1A1TDP1HSP90AA1
SCHEMBL6805365 0.74 KMT2A (0.50) KMT2AMEN1ALDH1A1TDP1HSP90AA1
SCHEMBL326887 0.74 KMT2A (0.50) KMT2AMEN1ALDH1A1TDP1HSP90AA1
SCHEMBL326886 0.74 KMT2A (0.50) KMT2AMEN1ALDH1A1TDP1HSP90AA1
SCHEMBL976868 0.73 POLB (0.56) KMT2AMEN1ALDH1A1TDP1HSP90AA1

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
CN-105491993-B Polyacrylate oily gel and method 罗门哈斯公司 2019-06-28 CN disclosed