SCHEMBL11540438

SCHEMBL11540438

CCOC(=S)Cc1ccc(Sc2ccc(Cl)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
STAT3 P40763 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PTGIR P43119 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 3/20 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
SCHEMBL11265080 0.90 MAPT (0.48) MAPTSMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL11537463 0.83 MAPT (0.43) MAPTSMN1; SMN2MAOAMAOBL3MBTL1
SCHEMBL11539903 0.76 MAPT (0.45) MAPTMAOAMAOBPTGIRL3MBTL1
SCHEMBL18235712 0.76 MEN1 (0.47) L3MBTL1NPC1RAB9APOLBMEN1
SCHEMBL11539975 0.73 KMT2A (0.41) MAPTMAPK1SMN1; SMN2L3MBTL1HTT
SCHEMBL9742546 0.73 CYP3A4 (0.47) MAPTSMN1; SMN2MAOANPC1RAB9A
SCHEMBL3251246 0.72 ALDH1A1 (0.44) MAPK1SMN1; SMN2L3MBTL1POLBMEN1
Hydrochloric Acid SCHEMBL8865281 0.71 CYP3A4 (0.46) MAPTSMN1; SMN2MAOAMAOBNPC1
SCHEMBL12437151 0.71 ALDH1A1 (0.49) MAPTSMN1; SMN2NPC1HTTMEN1
SCHEMBL5320705 0.71 L3MBTL1 (0.46) MAPTMAPK1SMN1; SMN2L3MBTL1NPC1

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-4156011-A TREATMENT OF CARDIOVASCULAR DISORDERS SOCIETE ANONYME DITE: LABORATOIRE L. LAFON (FR) 1979-05-22 US disclosed