SCHEMBL23139999

SCHEMBL23139999

C=CCc1cc(C)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.45
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NOS2 P35228 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PLAU P00749 1/20 0.35
HTR1A P08908 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 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
SCHEMBL5712532 0.81 UHRF1 (0.42) UHRF1CCR1CCR5CCR8ALDH1A1
SCHEMBL4030600 0.80 UHRF1 (0.45) UHRF1CCR1CCR5CCR8ALDH1A1
SCHEMBL2556929 0.79 XDH (0.45) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL9301260 0.79 GABRA1 (0.39) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL22818582 0.78 NOS1 (0.45) UHRF1CCR1CCR5CCR8ALDH1A1
SCHEMBL1443623 0.77
SCHEMBL318009 0.77
SCHEMBL30932457 0.76 UHRF1 (0.54) UHRF1CCR1CCR5CCR8ALDH1A1
SCHEMBL19860375 0.76 HDAC8 (0.36)
SCHEMBL3408217 0.76 ASIC3 (0.37) ALDH1A1LMNAKMT2AMEN1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104017570-B Identify the preparation method of microfilament bacterium fluorescent probe TIANJIN CHENGJIAN UNIVERSITY (CN) 2016-01-20 CN claimed
WO-2021053402-A2 COMPOUNDS STEP PHARMA S.A.S. (FR) 2021-03-25 WO disclosed
CN-104017570-B Identify the preparation method of microfilament bacterium fluorescent probe TIANJIN CHENGJIAN UNIVERSITY (CN) 2016-01-20 CN disclosed