SCHEMBL9687084

SCHEMBL9687084

NCCCS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.47
PDE3B Q13370 3/20 0.43
PDE3A Q14432 3/20 0.43
HRH3 Q9Y5N1 6/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CHRM2 P08172 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR3A P46098 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 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
Bromide SCHEMBL8108897 0.78 MAPT (0.69) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL8114174 0.78 MAPT (0.74) MAPTLMNAMEN1KMT2ACYP1A2
Bromide SCHEMBL8100497 0.77 MAPT (0.72) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL3452908 0.74 LMNA (0.80) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL3095902 0.74 LMNA (0.64) MAPTLMNAMEN1KMT2ACYP1A2
Bromide SCHEMBL8110043 0.73 HRH3 (0.63) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL8791883 0.73 HRH3 (0.63) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL7302713 0.73 MAPT (0.66) MAPTLMNAMEN1KMT2ACYP1A2
Bromide SCHEMBL8100697 0.72 HRH3 (0.62) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL1392640 0.70 LMNA (0.67) MAPTLMNAMEN1KMT2ACYP1A2

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
US-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed