SCHEMBL6598795

SCHEMBL6598795

COc1ccc(CCC(c2cnc[nH]2)n2cc(-c3cccc4ccccc34)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.38
FNTB P49356 8/20 0.38
ADRA2A P08913 4/20 0.37
ADRA2B P18089 4/20 0.37
ADRA2C P18825 4/20 0.37
MAPT P10636 3/20 0.36
PSMD14 O00487 1/20 0.36
PKM P14618 1/20 0.36
PTPN1 P18031 2/20 0.35
DCTPP1 Q9H773 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6602760 0.92 FNTA (0.37) FNTAFNTBADRA2AADRA2BADRA2C
SCHEMBL6608403 0.91 FNTA (0.45) FNTAFNTBADRA2AADRA2BADRA2C
SCHEMBL6599649 0.91 FNTA (0.42) FNTAFNTBADRA2AADRA2BADRA2C
SCHEMBL6599586 0.89 CYP19A1 (0.42) FNTAFNTBADRA2AADRA2BADRA2C
SCHEMBL6605799 0.89 FNTA (0.38) FNTAFNTBADRA2AADRA2BADRA2C
Anisole SCHEMBL27466946 0.87 FNTA (0.40) FNTAFNTBADRA2AADRA2BADRA2C
SCHEMBL6599678 0.87 FNTA (0.40) FNTAFNTBADRA2AADRA2BADRA2C
SCHEMBL6609122 0.84 FNTA (0.44) FNTAFNTBADRA2AADRA2BADRA2C
SCHEMBL6607577 0.82 FNTA (0.37) FNTAFNTBADRA2AADRA2BADRA2C
SCHEMBL6599443 0.82 FNTA (0.45) FNTAFNTBADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169320-B1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD (KR) 2004-09-22 EP claimed
US-6511978-B1 For treating cancer, restenosis, atherosclerosis or viral infections LG LIFE SCIENCES, LTD. (KR) 2003-01-28 US claimed
EP-1169320-B1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD (KR) 2004-09-22 EP disclosed
US-6511978-B1 For treating cancer, restenosis, atherosclerosis or viral infections LG LIFE SCIENCES, LTD. (KR) 2003-01-28 US disclosed
EP-1169320-A4 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD (KR) 2002-10-30 EP disclosed
EP-1169320-A1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG Chem Investment, Ltd. (KR) 2002-01-09 EP disclosed
WO-2000064891-A1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD. (KR) 2000-11-02 WO disclosed