SCHEMBL6598326

SCHEMBL6598326

Cc1ncn(Cc2ccc3c(c2)OCO3)c1Cn1cc(C(=O)O)c(-c2cccc3ccccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.58
FNTB P49356 6/20 0.58
PGGT1B P53609 3/20 0.58
CYP3A4 P08684 1/20 0.58
NR1H4 Q96RI1 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ACACB O00763 1/20 0.39
PPARG P37231 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL6599377 0.91 FNTA (0.56) FNTAFNTBPGGT1BCYP3A4KDM4E
SCHEMBL6599575 0.89 FNTA (0.67) FNTAFNTBPGGT1BCYP3A4NR1H4
SCHEMBL6601443 0.87 FNTA (0.65) FNTAFNTBPGGT1BCYP3A4NR1H4
SCHEMBL6606555 0.81 FNTA (0.65) FNTAFNTBPGGT1BCYP3A4NR1H4
SCHEMBL6599698 0.81 FNTA (0.75) FNTAFNTBPGGT1BCYP3A4NR1H4
SCHEMBL6607629 0.81 FNTA (0.75) FNTAFNTBPGGT1BCYP3A4NR1H4
SCHEMBL6608433 0.80 FNTA (0.64) FNTAFNTBPGGT1BCYP3A4NR1H4
SCHEMBL6599257 0.78 FNTA (0.71) FNTAFNTBPGGT1BCYP3A4NR1H4
SCHEMBL6600660 0.77 FNTA (0.60) FNTAFNTBPGGT1BCYP3A4KDM4E
SCHEMBL6598679 0.76 FNTA (0.57) FNTAFNTBPGGT1BCYP3A4NR1H4

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 disclosed