SCHEMBL6599134

SCHEMBL6599134

O=[N+]([O-])c1cn(C(Cc2ccc(Cl)cc2)c2cnc[nH]2)cc1-c1cccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.37
FNTB P49356 10/20 0.37
ADRA2A P08913 5/20 0.36
ADRA2B P18089 5/20 0.36
ADRA2C P18825 5/20 0.36
ADRA1A P35348 4/20 0.36
ADRA1D P25100 3/20 0.36
ADRA1B P35368 3/20 0.36
NLN Q9BYT8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ACP3 P15309 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
SCHEMBL6605799 0.91 FNTA (0.38) FNTAFNTBADRA2AADRA2BADRA2C
SCHEMBL27508284 0.91 FNTA (0.44) FNTAFNTBADRA2AADRA2BADRA2C
SCHEMBL6607577 0.89 FNTA (0.37) FNTAFNTBADRA2AADRA2BADRA2C
Chlorobenzene SCHEMBL27467412 0.88 FNTA (0.39) FNTAFNTBADRA2AADRA2BADRA2C
SCHEMBL6610935 0.87 ADRA2A (0.39) FNTAFNTBADRA2AADRA2BADRA2C
SCHEMBL6610055 0.85 ADRA2A (0.38) FNTAFNTBADRA2AADRA2BADRA2C
SCHEMBL6600150 0.84 FNTA (0.38) FNTAFNTBKDM4E
SCHEMBL6599649 0.84 FNTA (0.42) FNTAFNTBADRA2AADRA2BADRA2C
SCHEMBL6608403 0.82 FNTA (0.45) FNTAFNTBADRA2AADRA2BADRA2C
SCHEMBL6599586 0.82 CYP19A1 (0.42) 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 1 patent. 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