SCHEMBL6985593

SCHEMBL6985593

COc1ccc(Cn2cncc2[N+]2(C)C=C(C(=O)N3CCN(C)CC3)C(c3cccc4ccccc34)=C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.44
FNTB P49356 10/20 0.44
PGGT1B P53609 4/20 0.44
CYP3A4 P08684 1/20 0.44
HTR2C P28335 1/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.36
KDM4E B2RXH2 2/20 0.36
BCHE P06276 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6975064 0.92 FNTA (0.46) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL7088691 0.92 FNTA (0.46) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL6982933 0.91 FNTA (0.45) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL7087362 0.91 FNTA (0.48) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL7087476 0.88 FNTA (0.46) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL6982183 0.87 FNTA (0.46) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL7081046 0.86 FNTA (0.42) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL6974951 0.85 FNTA (0.42) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL6979467 0.85 FNTA (0.42) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL6974275 0.84 FNTA (0.43) FNTAFNTBPGGT1BCYP3A4HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045846-B1 IMIDAZOLE DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD (KR) 2003-05-02 EP disclosed
US-6472526-B1 SHOWS AN INHIBITORY ACTIVITY AGAINST FARNESYL TRANSFERASE OR PHARMACEUTICALLY ACCEPTABLE SALTS OR ISOMERS THEREOF, IN PHARMACEUTICAL COMPOSITION AND INTERMEDIATES LG CHEMICAL LTD. (KR) 2002-10-29 US disclosed