SCHEMBL31301094

SCHEMBL31301094

BrC1=CCSc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ACHE P22303 1/20 0.34
ALDH1A1 P00352 4/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL21383160 1.00 MEN1 (0.38) MEN1ALOX15KMT2ATDP1HPGD
SCHEMBL6587062 0.73 HPGD (0.37) MEN1ALOX15KMT2ATDP1HPGD
SCHEMBL28802735 0.73 HPGD (0.41) MEN1ALOX15KMT2ATDP1HPGD
SCHEMBL14114151 0.73 HPGD (0.41) MEN1ALOX15KMT2ATDP1HPGD
SCHEMBL18918351 0.73 HPGD (0.37) MEN1ALOX15KMT2ATDP1HPGD
SCHEMBL31301087 0.72 ALDH1A1 (0.43) MEN1KMT2ATDP1HPGDNPSR1
SCHEMBL10721515 0.68 NOTUM (0.45) ALOX15TDP1HPGDNPSR1ALDH1A1
SCHEMBL11179601 0.68 HPGD (0.34) MEN1ALOX15KMT2ATDP1HPGD
SCHEMBL2225691 0.68 HPGD (0.34) MEN1ALOX15KMT2ATDP1HPGD
SCHEMBL11184460 0.68 GPR84 (0.49) MEN1ALOX15KMT2ATDP1HPGD

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-111683942-B Compound, organic light-emitting device and display device SK 株式会社 2024-10-25 CN disclosed