SCHEMBL6680604

SCHEMBL6680604

CC(C)(C)OC(=O)N1Cc2ccc([N+](=O)[O-])cc2N(Cc2c[nH]cn2)CC1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.41
FNTB P49356 6/20 0.41
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
DRD2 P14416 1/20 0.36
DPP4 P27487 1/20 0.35
HDAC1 Q13547 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
HDAC8 Q9BY41 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
PARP1 P09874 1/20 0.33

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
SCHEMBL6676544 0.88 FNTA (0.43) FNTAFNTBNR1H2NR1H3DPP4
SCHEMBL6632164 0.82 NPC1 (0.39) FNTAFNTBNR1H2NR1H3HDAC1
SCHEMBL6634998 0.81 FNTA (0.61) FNTAFNTBNR1H2NR1H3
SCHEMBL7685900 0.81 FNTA (0.61) FNTAFNTBNR1H2NR1H3
SCHEMBL6615703 0.81 FNTA (0.42) FNTAFNTBNR1H2NR1H3DPP4
SCHEMBL6633491 0.81 USP30 (0.43) FNTAFNTBNR1H2NR1H3HDAC1
SCHEMBL7684698 0.79 HDAC1 (0.43) FNTAFNTBNR1H2NR1H3DPP4
SCHEMBL6657656 0.77 ITGA4 (0.41) NR1H2NR1H3DRD2DPP4MAPT
SCHEMBL6637954 0.76 FNTA (0.46) FNTAFNTBSIRT2SIRT1
SCHEMBL3502173 0.76 FNTA (0.68) FNTAFNTB

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 3 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
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed