SCHEMBL6981780

SCHEMBL6981780

COCCN(C)C(=O)c1cn(Cc2cncn2Cc2ccc(Br)cc2)cc1C(=O)c1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.62
FNTB P49356 10/20 0.62
PGGT1B P53609 4/20 0.62
CNR2 P34972 6/20 0.46
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CYP3A4 P08684 1/20 0.40
CNR1 P21554 1/20 0.40
LMNA P02545 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2C P28335 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
SCHEMBL6983519 0.90 FNTA (0.76) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL6981647 0.83 FNTA (0.69) FNTAFNTBPGGT1BCNR2CYP11B1
SCHEMBL7080004 0.82 FNTA (0.58) FNTAFNTBPGGT1BCNR2CYP11B1
SCHEMBL6975814 0.82 FNTA (0.76) FNTAFNTBPGGT1BCNR2CYP11B1
SCHEMBL6983878 0.82 FNTA (0.76) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL6926980 0.80 FNTA (0.73) FNTAFNTBPGGT1BCYP3A4
SCHEMBL6983323 0.79 FNTA (0.76) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL6926512 0.78 FNTA (0.72) FNTAFNTBPGGT1BCNR2CYP3A4
SCHEMBL6983258 0.78 FNTA (0.71) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL6982659 0.77 FNTA (0.69) FNTAFNTBPGGT1BCNR2CYP11B1

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-1045846-B1 IMIDAZOLE DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD (KR) 2003-05-02 EP claimed
US-6268363-B1 ANTITUMOR LG CHEMICAL LTD. (KR) 2001-07-31 US claimed
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-6268363-B1 ANTITUMOR LG CHEMICAL LTD. (KR) 2001-07-31 US disclosed