SCHEMBL5320120

SCHEMBL5320120

CC(C)(C)NC(=S)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.62
GAA P10253 2/20 0.54
ALDH1A1 P00352 6/20 0.51
NPSR1 Q6W5P4 4/20 0.51
MGLL Q99685 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
ALOX12 P18054 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47

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
SCHEMBL25002902 0.86 ALDH1A1 (0.52) RECQLGAAALDH1A1NPSR1NPC1
SCHEMBL11531301 0.79 GAA (0.59) RECQLGAAALDH1A1NPSR1MGLL
SCHEMBL11527812 0.76 GAA (0.65) RECQLGAAALDH1A1NPSR1MGLL
SCHEMBL21163154 0.76 GAA (0.59) RECQLGAAALDH1A1NPSR1MGLL
SCHEMBL5463525 0.74 LMNA (0.81) GAAALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL3190624 0.74 ALDH1A1 (0.69) GAAALDH1A1NPSR1SMN1; SMN2HTT
SCHEMBL10866296 0.74 RECQL (0.69) RECQLGAAALDH1A1NPSR1LMNA
SCHEMBL10773968 0.74 AKT1 (0.64) RECQLNPC1RAB9APTGES
SCHEMBL3078247 0.73 RECQL (0.59) RECQLGAAALDH1A1NPSR1MGLL
SCHEMBL9714192 0.73 MGLL (0.52) RECQLGAAALDH1A1NPSR1MGLL

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
WO-2007090134-A2 USE OF VANILLOID RECEPTOR-1 ANTAGONISTS FOR THE PREVENTION AND TREATMENT OF GLAUCOMA ALCON MANUFACTURING, LTD. (US) 2007-08-09 WO claimed