SCHEMBL6663264

SCHEMBL6663264

O=C(NCCc1c[nH]cn1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HTT P42858 1/20 0.53
IDO1 P14902 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 1/20 0.49
KCNA5 P22460 2/20 0.48
KCNK3 O14649 1/20 0.48
KCNA3 P22001 1/20 0.48
TGM2 P21980 1/20 0.48
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
KAT2B Q92831 1/20 0.46
GAA P10253 1/20 0.46
TDO2 P48775 1/20 0.46
SLC1A3 P43003 1/20 0.45
SLC1A1 P43005 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44

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
SCHEMBL7971469 0.86 HDAC3 (0.46) LMNASMN1; SMN2GAAMEN1KMT2A
SCHEMBL18381236 0.84 TAAR1 (0.46) LMNAHTTL3MBTL1MEN1KMT2A
SCHEMBL7977081 0.84 HRH3 (0.49) LMNASMN1; SMN2GAAMEN1KMT2A
SCHEMBL7619459 0.82 SLC15A1 (0.42) L3MBTL1SLC1A3SLC1A1MEN1KMT2A
SCHEMBL19628656 0.81 L3MBTL1 (0.42) LMNASMN1; SMN2HTTIDO1L3MBTL1
SCHEMBL160429 0.81 KCNA5 (0.67) LMNASMN1; SMN2HTTIDO1L3MBTL1
SCHEMBL7961411 0.80 CHRNB2 (0.52) LMNASMN1; SMN2HTTL3MBTL1GAA
Benzyl Phenethylcarbamate SCHEMBL4287199 0.80 LMNA (0.73) LMNASMN1; SMN2HTTIDO1L3MBTL1
SCHEMBL7620445 0.79 SLC1A1 (0.42) SMN1; SMN2HTTSLC1A3SLC1A1KMT2A
SCHEMBL7620455 0.79 SLC1A1 (0.42) SMN1; SMN2HTTSLC1A3SLC1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082138-B1 TEXAPHYRIN CONJUGATES AND USES THEREOF UNIV TEXAS (US) 2004-08-25 EP disclosed
US-6207660-B1 Texaphyrin conjugates and uses thereof PHARMACYCLICS, INC. 2001-03-27 US disclosed
EP-1082138-A1 TEXAPHYRIN CONJUGATES AND USES THEREOF THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2001-03-14 EP disclosed
WO-1999062551-A1 TEXAPHYRIN CONJUGATES AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-12-09 WO disclosed
WO-1998046625-A1 DIPEPTIDE INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1998-10-22 WO disclosed