SCHEMBL6599586

SCHEMBL6599586

O=[N+]([O-])c1cn(C(CCc2ccc(F)cc2)c2cnc[nH]2)cc1-c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.42
FNTA P49354 11/20 0.38
FNTB P49356 10/20 0.38
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
PGGT1B P53609 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
SCHEMBL6599649 0.93 FNTA (0.42) CYP19A1FNTAFNTBADRA2AADRA2B
SCHEMBL6605799 0.91 FNTA (0.38) CYP19A1FNTAFNTBADRA2AADRA2B
SCHEMBL6608403 0.91 FNTA (0.45) CYP19A1FNTAFNTBADRA2AADRA2B
SCHEMBL6599678 0.91 FNTA (0.40) FNTAFNTBADRA2AADRA2BADRA2C
SCHEMBL6598795 0.89 FNTA (0.38) FNTAFNTBADRA2AADRA2BADRA2C
SCHEMBL6609122 0.86 FNTA (0.44) FNTAFNTBADRA2AADRA2BADRA2C
Fluorobenzene SCHEMBL27467411 0.86 FNTA (0.39) FNTAFNTBADRA2AADRA2BADRA2C
SCHEMBL6602760 0.84 FNTA (0.37) FNTAFNTBADRA2AADRA2BADRA2C
SCHEMBL6610935 0.84 ADRA2A (0.39) FNTAFNTBADRA2AADRA2BADRA2C
SCHEMBL6607577 0.82 FNTA (0.37) 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 4 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