SCHEMBL6598941

SCHEMBL6598941

CSc1c(C(=O)N2CCN(C)CC2)c(-c2cccc3ccccc23)cn1Cc1cncn1Cc1ccc2c(c1)OCO2

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 9/20 0.73
FNTB P49356 9/20 0.73
PGGT1B P53609 5/20 0.73
CYP3A4 P08684 1/20 0.73
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ACACB O00763 1/20 0.39

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
SCHEMBL6596849 0.93 FNTA (0.71) FNTAFNTBPGGT1BCYP3A4KDM4E
SCHEMBL6598192 0.92 FNTA (0.77) FNTAFNTBPGGT1BCYP3A4KDM4E
SCHEMBL2287583 0.84 FNTA (1.00) FNTAFNTBPGGT1BCYP3A4KDM4E
SCHEMBL6599882 0.82 FNTA (0.59) FNTAFNTBPGGT1BCYP3A4KDM4E
SCHEMBL6600385 0.81 FNTA (0.63) FNTAFNTBPGGT1BCYP3A4KDM4E
SCHEMBL6601972 0.81 FNTA (0.62) FNTAFNTBPGGT1BCYP3A4KDM4E
SCHEMBL6599904 0.80 FNTA (0.56) FNTAFNTBPGGT1BCYP3A4ALDH1A1
SCHEMBL6598939 0.78 FNTA (0.51) FNTAFNTBPGGT1BCYP3A4KDM4E
SCHEMBL7087230 0.76 FNTA (1.00) FNTAFNTBPGGT1BCYP3A4KDM4E
SCHEMBL6599810 0.74 FNTA (0.73) FNTAFNTBPGGT1BCYP3A4KDM4E

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 3 patents. 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
EP-1169320-B1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD (KR) 2004-09-22 EP disclosed
US-6511978-B1 For treating cancer, restenosis, atherosclerosis or viral infections LG LIFE SCIENCES, LTD. (KR) 2003-01-28 US disclosed