SCHEMBL9759838

SCHEMBL9759838

CCCNC(=S)c1ccc2c(c1)N(C(CC)N1CC=CC1)c1ccccc1S2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 4/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 4/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 4/20 0.34
NOX1 Q9Y5S8 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34

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
Fumaric Acid SCHEMBL9759348 0.93 BCHE (0.40) BCHENPSR1MAPTGAATP53
SCHEMBL9334774 0.90 BCHE (0.41) BCHENPSR1MAPTGAATP53
SCHEMBL9334139 0.88 KMT2A (0.40) BCHENPSR1MAPTGAATP53
SCHEMBL9758883 0.85 MAPT (0.37) BCHENPSR1MAPTTP53LMNA
Hydrochloric Acid SCHEMBL9759697 0.84 BCHE (0.42) BCHENPSR1MAPTGAATP53
SCHEMBL9759826 0.83 BCHE (0.40) BCHENPSR1MAPTGAATP53
Fumaric Acid SCHEMBL9758663 0.83 LMNA (0.42) BCHENPSR1MAPTTP53LMNA
Fumaric Acid SCHEMBL9759626 0.82 KMT2A (0.40) BCHENPSR1MAPTGAATP53
SCHEMBL9759112 0.82 LMNA (0.44) BCHENPSR1MAPTGAATP53
Hydrochloric Acid SCHEMBL9759279 0.81 LMNA (0.43) BCHENPSR1MAPTGAATP53

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