SCHEMBL6600441

SCHEMBL6600441

O=[N+]([O-])c1cc(-c2cccc3ccccc23)cn1Cc1cncn1Cc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 9/20 0.50
FNTB P49356 9/20 0.50
PGGT1B P53609 6/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CYP3A4 P08684 1/20 0.38

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
SCHEMBL27508283 0.83 FNTA (0.61) FNTAFNTBPGGT1BCYP3A4
SCHEMBL6599130 0.74 FNTA (0.52) FNTAFNTBPGGT1BCYP3A4
SCHEMBL6607574 0.73 FNTA (0.49) FNTAFNTBPGGT1BCYP3A4
SCHEMBL6609116 0.70 FNTA (0.46) FNTAFNTBPGGT1BCYP3A4
SCHEMBL6600442 0.70 FNTA (0.39) FNTAFNTB
SCHEMBL6600154 0.69 FNTA (0.66) FNTAFNTBPGGT1BCYP3A4
SCHEMBL6610933 0.69 FNTA (0.48) FNTAFNTBPGGT1BCYP3A4
SCHEMBL6605790 0.68 FNTA (0.46) FNTAFNTBPGGT1BCYP3A4
SCHEMBL6980663 0.67 FNTA (0.56) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL6928044 0.67 FNTA (0.82) FNTAFNTBPGGT1BCYP3A4

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