SCHEMBL8320312

SCHEMBL8320312

O=C(NCCCCCc1nc(-c2ccccc2)c[nH]1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.52
HTT P42858 1/20 0.51
KEAP1 Q14145 3/20 0.47
NFE2L2 Q16236 3/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
FOLH1 Q04609 2/20 0.45
IDO1 P14902 1/20 0.45

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
SCHEMBL1928930 0.89 IDO1 (0.49) TGM2HTTKEAP1NFE2L2LMNA
SCHEMBL7843281 0.85 HTT (0.47) TGM2HTTKEAP1NFE2L2LMNA
SCHEMBL12068804 0.84 TNKS (0.49) HTTKEAP1NFE2L2LMNASMN1; SMN2
SCHEMBL2348002 0.84 HDAC3 (0.43) LMNASMN1; SMN2
SCHEMBL1929560 0.83 NPSR1 (0.50) IDO1
SCHEMBL1928800 0.81 IDO1 (0.45) TGM2HTTLMNASMN1; SMN2IDO1
SCHEMBL27471674 0.81 SMN1; SMN2 (0.47) LMNASMN1; SMN2
SCHEMBL1926400 0.81 IDO1 (0.44) HTTLMNASMN1; SMN2MMP9IDO1
SCHEMBL1929552 0.79 ROCK2 (0.51) LMNASMN1; SMN2IDO1
SCHEMBL1929111 0.79 IDO1 (0.43) HTTLMNASMN1; SMN2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904274-A4 FARNESYL TRANSFERASE INHIBITORS BIOMEASURE INC (US) 1999-12-29 EP disclosed
EP-0904274-A1 FARNESYL TRANSFERASE INHIBITORS Biomeasure Incorporated (US) 1999-03-31 EP disclosed
WO-1997030053-A9 FARNESYL TRANSFERASE INHIBITORS 1997-10-30 WO disclosed
WO-1997030053-A1 FARNESYL TRANSFERASE INHIBITORS BIOMEASURE INCORPORATED (US) 1997-08-21 WO disclosed