SCHEMBL25842306

SCHEMBL25842306

CCCN1c2ccccc2Sc2cc(CO)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.48
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PDF Q9HBH1 1/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 2/20 0.46
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
CHRM3 P20309 2/20 0.46
SLC6A2 P23975 2/20 0.46
HTR2C P28335 2/20 0.46
SLC6A4 P31645 2/20 0.46
DRD3 P35462 2/20 0.46
HTR2B P41595 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
SLC22A1 O15245 1/20 0.46
PRNP P04156 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL8714035 0.92 KDM1A (0.56) KDM1ALMNAMEN1KMT2APDF
SCHEMBL8715308 0.88 PTGS1 (0.46) KDM1ALMNAMEN1KMT2APOLB
SCHEMBL7125071 0.85 MAOA (0.61) KDM1ALMNAMEN1KMT2AADRA2A
SCHEMBL343282 0.83 KDM1A (0.65) KDM1ALMNAMEN1KMT2APDF
SCHEMBL29795163 0.83 KDM1A (0.65) KDM1ALMNAMEN1KMT2APDF
SCHEMBL31123118 0.83 KDM1A (0.65) KDM1ALMNAMEN1KMT2APDF
Ammonia Solution, Strong SCHEMBL5726715 0.81 KDM1A (0.62) KDM1ALMNAMEN1KMT2APDF
Potassium SCHEMBL30611014 0.81 KDM1A (0.62) KDM1ALMNAMEN1KMT2APDF
SCHEMBL18076888 0.81 KDM1A (0.62) KDM1ALMNAMEN1KMT2APDF
SCHEMBL8711615 0.78 PTGS1 (0.45) KDM1ALMNAMEN1KMT2APOLB

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
WO-2023100982-A1 ACRYLIC ELASTOMER COPOLYMER ユニマテック株式会社 2023-06-08 WO disclosed