SCHEMBL6607626

SCHEMBL6607626

CN1CCN(C(=O)c2cn(C(Cc3ccc4c(c3)OCO4)c3[nH]cnc3I)cc2-c2cccc3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.55
FNTB P49356 6/20 0.55
PGGT1B P53609 3/20 0.55
CYP3A4 P08684 1/20 0.55
NR1H4 Q96RI1 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ACACB O00763 1/20 0.39
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 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
SCHEMBL6599696 0.92 FNTA (0.55) FNTAFNTBPGGT1BCYP3A4NR1H4
SCHEMBL6599572 0.87 FNTA (0.49) FNTAFNTBPGGT1BCYP3A4NR1H4
SCHEMBL4955195 0.86 FNTA (0.60) FNTAFNTBPGGT1BCYP3A4NR1H4
SCHEMBL6601438 0.85 FNTA (0.47) FNTAFNTBPGGT1BCYP3A4NR1H4
SCHEMBL6600318 0.85 FNTA (0.58) FNTAFNTBPGGT1BCYP3A4NR1H4
SCHEMBL6599733 0.85 FNTA (0.48) FNTAFNTBPGGT1BCYP3A4NR1H4
SCHEMBL6598883 0.85 FNTA (0.47) FNTAFNTBPGGT1BCYP3A4NR1H4
SCHEMBL6599994 0.84 FNTA (0.57) FNTAFNTBPGGT1BCYP3A4NR1H4
SCHEMBL6600663 0.82 KDM4E (0.44) FNTAFNTBPGGT1BCYP3A4KDM4E
SCHEMBL6598323 0.81 FNTA (0.41) 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 claimed