SCHEMBL28270672

SCHEMBL28270672

CCSc1cccc(SCC)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.41
HTR1A P08908 3/20 0.41
DRD2 P14416 3/20 0.41
HTR2A P28223 3/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADORA2A P29274 1/20 0.36

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
SCHEMBL2666265 0.86 CCR1 (0.44) HTR7HTR1ADRD2HTR2AMAPT
SCHEMBL3922796 0.84 NOS3 (0.45) HTR7HTR1ADRD2HTR2AALDH1A1
SCHEMBL30602371 0.84 KMT2A (0.42) HTR7HTR1ADRD2HTR2AALDH1A1
SCHEMBL12879681 0.84 KMT2A (0.42) HTR7HTR1ADRD2HTR2AALDH1A1
SCHEMBL19602121 0.81 HTR7 (0.38) HTR7HTR1ADRD2HTR2AALDH1A1
SCHEMBL2297589 0.80 HTR7 (0.64) HTR7HTR1ADRD2HTR2AALDH1A1
SCHEMBL2953350 0.80 SQOR (0.41) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL28195557 0.80 P2RX7 (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL13199774 0.80 HTR7 (0.33) HTR7HTR1ADRD2HTR2AALDH1A1
SCHEMBL3922793 0.78 CNR2 (0.47) KDM4ESMN1; SMN2TDP1

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-109206580-A A kind of hybrid cross-linked dynamic aggregation object 翁秋梅 2019-01-15 CN disclosed