SCHEMBL7744833

SCHEMBL7744833

CC(C)(C)c1cc(C(=O)NCc2ccccc2)n(Cc2ccc(Cl)cc2Cl)n1.O=C(O)c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
TASP1 Q9H6P5 1/20 0.53
RPA1 P27694 6/20 0.52
CACNA1G O43497 1/20 0.50
CACNA1H O95180 1/20 0.50
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
MALT1 Q9UDY8 1/20 0.47
DHODH Q02127 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PPP1CA P62136 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MARS1 P56192 1/20 0.46
MAPT P10636 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL1900846 0.86 NPC1 (0.70) NPC1TASP1CNR1CNR2MAPT
SCHEMBL6107458 0.86 DHODH (0.60) TASP1CACNA1GCACNA1HCNR1CNR2
SCHEMBL7744342 0.85 DHODH (0.62) TASP1CACNA1GCACNA1HCNR1CNR2
SCHEMBL1899142 0.78 NPC1 (0.67) NPC1TASP1CNR1CNR2SMN1; SMN2
SCHEMBL1897764 0.75 GRN (0.72) NPC1CNR1CNR2SMN1; SMN2L3MBTL1
SCHEMBL1898696 0.74 TASP1 (0.81) NPC1TASP1CNR1CNR2L3MBTL1
SCHEMBL3064847 0.73 NPC1 (1.00) NPC1TASP1SMN1; SMN2MAPTCRHBP
SCHEMBL1899805 0.72 NPC1 (0.72) NPC1TASP1CNR1CNR2SMN1; SMN2
SCHEMBL1514681 0.71 L3MBTL1 (0.89) RPA1MALT1SMN1; SMN2PPP1CAL3MBTL1
SCHEMBL8364830 0.70 MARS1 (0.69) NPC1RPA1MALT1SMN1; SMN2PPP1CA

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-1252156-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2002-10-30 EP disclosed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 WO disclosed