SCHEMBL11437372

SCHEMBL11437372

COc1ccc(CN(O)C(C)=S)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
PKM P14618 1/20 0.49
APLNR P35414 1/20 0.47
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSPO P30536 1/20 0.45
PYCR1 P32322 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
ALOX12 P18054 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IDO1 P14902 1/20 0.44
ALOX5 P09917 2/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL3722809 0.79 ALDH1A1 (0.56) ALDH1A1APLNRHTTSMN1; SMN2TSPO
SCHEMBL7047446 0.78 APLNR (0.55) ALDH1A1APLNRHTTSMN1; SMN2PYCR1
SCHEMBL11440287 0.77 CA2 (0.52) ALDH1A1KMT2AL3MBTL1MAPTKDM4E
SCHEMBL11432931 0.77 RIPK1 (0.51) ALDH1A1PYCR1MEN1KMT2ATDP1
SCHEMBL9243563 0.76 MGLL (0.50) ALDH1A1ALOX5PTGS1PTGS2
SCHEMBL27995373 0.76 ALDH1A1 (0.56) ALDH1A1APLNRHTTSMN1; SMN2PYCR1
SCHEMBL25424046 0.74 ALDH1A1 (0.49) ALDH1A1PKMAPLNRHTTSMN1; SMN2
SCHEMBL5270803 0.73 APLNR (0.59) ALDH1A1APLNRHTTSMN1; SMN2PYCR1
SCHEMBL12049800 0.73 APLNR (0.59) ALDH1A1APLNRHTTSMN1; SMN2PYCR1
SCHEMBL28269468 0.73 ALDH1A1 (0.47) ALDH1A1PKMAPLNRHTTSMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4225617-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1980-09-30 US disclosed
US-4209524-A CENTRAL NERVOUS SYSTEM LABORATOIRE L. LAFON (FR) 1980-06-24 US disclosed
US-4209523-A TREATMENT OF THE CENTRAL NERVOUS SYSTEM LABORATOIRE L. LAFON (FR) 1980-06-24 US disclosed
US-4183951-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1980-01-15 US disclosed
US-4152458-A CENTRAL NERVOUS SYSTEM, PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1979-05-01 US disclosed
US-4151300-A CENTRAL NERVOUS SYSTEM, PSYCHOTROPIC LABORATOIRE L. LAFON (FR) 1979-04-24 US disclosed
US-4122186-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1978-10-24 US disclosed