SCHEMBL6657656

SCHEMBL6657656

CC(C)(C)OC(=O)N1Cc2ccc([N+](=O)[O-])cc2NCC1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
PTPN1 P18031 1/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRIN2B Q13224 1/20 0.36
DPP4 P27487 1/20 0.36
GHSR Q92847 1/20 0.36

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
SCHEMBL7679653 0.86 MAPT (0.42) MAPTMAPK1MEN1KMT2ALMNA
SCHEMBL6614346 0.85 NR1H2 (0.44) NR1H2NR1H3MAPK1MEN1KMT2A
SCHEMBL6615264 0.83 PTPN1 (0.44) NR1H2NR1H3MAPK1MEN1KMT2A
SCHEMBL7683608 0.79 NR1H2 (0.44) NR1H2NR1H3MAPK1MEN1KMT2A
SCHEMBL6618635 0.79 NR1H2 (0.44) NR1H2NR1H3MAPK1MEN1KMT2A
SCHEMBL6634181 0.77 FNTA (0.49) NR1H2NR1H3MAPK1MEN1KMT2A
SCHEMBL6619143 0.77 FNTA (0.49) NR1H2NR1H3MAPK1MEN1KMT2A
SCHEMBL6680604 0.77 FNTA (0.41) ITGA4ITGB7NR1H2NR1H3MAPT
SCHEMBL6618500 0.77 NR1H2 (0.39) NR1H2NR1H3MAPK1MEN1KMT2A
SCHEMBL1150225 0.73 ALDH1A1 (0.52) NR1H2NR1H3MAPTMAPK1KMT2A

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-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
EP-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP disclosed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 WO disclosed