SCHEMBL9758863

SCHEMBL9758863

CCC(N1c2ccccc2Sc2ccc(C(=S)NCCC(C)C)cc21)N1CCC[C@@H]1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
TP53 P04637 4/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADRA2B P18089 4/20 0.31
HTR2A P28223 4/20 0.31
ADRA1A P35348 4/20 0.31
HRH1 P35367 4/20 0.31
DRD3 P35462 4/20 0.31
HTR2B P41595 4/20 0.31
KCNH2 Q12809 4/20 0.31
CHRM2 P08172 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 0.31
HTR2C P28335 3/20 0.31
SLC6A2 P23975 3/20 0.31

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
SCHEMBL9759177 1.00 LMNA (0.39) LMNATP53MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL9759734 0.99 LMNA (0.39) LMNATP53MAPTMEN1KMT2A
SCHEMBL9759727 0.90 LMNA (0.51) LMNATP53MAPTMEN1KMT2A
SCHEMBL9759239 0.90 LMNA (0.51) LMNATP53MAPTMEN1KMT2A
SCHEMBL9759112 0.85 LMNA (0.44) LMNATP53MAPTMEN1KMT2A
SCHEMBL9759784 0.85 DRD3 (0.34) LMNATP53MAPTMEN1KMT2A
SCHEMBL9759075 0.85 DRD3 (0.34) LMNATP53MAPTMEN1KMT2A
SCHEMBL9759168 0.85 LMNA (0.40) LMNATP53MAPTMEN1KMT2A
SCHEMBL9758857 0.85 LMNA (0.40) LMNATP53MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL9759279 0.84 LMNA (0.43) LMNATP53MAPTMEN1KMT2A

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-4985419-A Analgesics, Diuretics RHONE-POULENC SANTE (FR) 1991-01-15 US disclosed