SCHEMBL5028967

SCHEMBL5028967

CCN(CC)/C(Cc1ccccc1)=N/C(=S)Nc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MAPT P10636 5/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
NPSR1 Q6W5P4 2/20 0.47
CNR1 P21554 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NOX1 Q9Y5S8 1/20 0.42
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL5027083 0.91 MAPK1 (0.47) ALDH1A1SMN1; SMN2MAPTKMT2ALMNA
SCHEMBL4397161 0.82 RAB9A (0.50) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4397239 0.82 RAB9A (0.50) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5031707 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4394381 0.78 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4393516 0.78 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4398352 0.76 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4398354 0.76 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5028982 0.73 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4394289 0.72 NPC1 (0.49) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007393-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS Board Of Supervisors Of Louisiana State University And Agricultural And Mechanical College (US) 2008-12-31 EP disclosed
WO-2007118149-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL LOLLEGE (US) 2007-10-18 WO disclosed