SCHEMBL9758883

SCHEMBL9758883

CCC(N1CC=CC1)N1c2ccccc2Sc2ccc(C(N)=S)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
LMNA P02545 3/20 0.37
NOX1 Q9Y5S8 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR1A P08908 3/20 0.36
DRD2 P14416 3/20 0.36
ADRA1A P35348 3/20 0.36
DRD3 P35462 3/20 0.36
KCNH2 Q12809 3/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
HTR2A P28223 2/20 0.36
HRH1 P35367 2/20 0.36
OPRM1 P35372 2/20 0.36
HTR2B P41595 2/20 0.36
CHRM3 P20309 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
SCHEMBL9331583 0.89 LMNA (0.37) MAPTLMNANOX1MAPK1TDP1
SCHEMBL9759838 0.85 BCHE (0.41) MAPTLMNANOX1MAPK1TDP1
SCHEMBL9334139 0.82 KMT2A (0.40) MAPTLMNANOX1MAPK1TDP1
SCHEMBL9758879 0.81 HTR1A (0.39) MAPTLMNANOX1MAPK1TDP1
Fumaric Acid SCHEMBL9759348 0.79 BCHE (0.40) MAPTLMNANOX1MAPK1TDP1
SCHEMBL9332058 0.78 HDAC3 (0.45) MAPTLMNANOX1MAPK1TDP1
SCHEMBL9759784 0.78 DRD3 (0.34) MAPTLMNANOX1MAPK1TDP1
SCHEMBL9759075 0.78 DRD3 (0.34) MAPTLMNANOX1MAPK1TDP1
SCHEMBL9332105 0.78 KMT2A (0.45) MAPTLMNANOX1MAPK1TDP1
SCHEMBL9759044 0.78 LMNA (0.42) MAPTLMNAMAPK1TDP1HTR1A

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