SCHEMBL7084209

SCHEMBL7084209

Cc1ccc(Cn2cncc2[N+]2(C)C=C(C(=O)N3CCOCC3)C(c3cccc4ccccc34)=C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.51
FNTB P49356 11/20 0.51
PGGT1B P53609 6/20 0.46
HTR2C P28335 5/20 0.42
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
APC P25054 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
SCHEMBL7087340 0.93 FNTA (0.59) FNTAFNTBPGGT1BHTR2CCYP3A4
SCHEMBL7088691 0.91 FNTA (0.46) FNTAFNTBPGGT1BHTR2CCYP3A4
SCHEMBL6975064 0.85 FNTA (0.46) FNTAFNTBPGGT1BHTR2CCYP3A4
SCHEMBL6982933 0.84 FNTA (0.45) FNTAFNTBPGGT1BHTR2CCYP3A4
SCHEMBL7087362 0.84 FNTA (0.48) FNTAFNTBPGGT1BHTR2CCYP3A4
SCHEMBL6982183 0.84 FNTA (0.46) FNTAFNTBPGGT1BHTR2CCYP3A4
SCHEMBL6985593 0.83 FNTA (0.44) FNTAFNTBPGGT1BHTR2CCYP3A4
SCHEMBL7083084 0.82 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL7087476 0.81 FNTA (0.46) FNTAFNTBPGGT1BHTR2CCYP3A4
SCHEMBL7081046 0.80 FNTA (0.42) FNTAFNTBPGGT1BHTR2CCYP3A4

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-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