SCHEMBL6599375

SCHEMBL6599375

CCOC(=O)c1cn(C(Cc2ccc3c(c2)OCO3)c2[nH]cnc2C)cc1-c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.45
FNTB P49356 4/20 0.45
PKM P14618 1/20 0.40
PGGT1B P53609 3/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
PPP1CA P62136 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 4/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
ELANE P08246 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
JAK2 O60674 1/20 0.37

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
SCHEMBL6598323 0.91 FNTA (0.41) FNTAFNTBPKMPGGT1BCYP3A4
SCHEMBL6599572 0.86 FNTA (0.49) FNTAFNTBPGGT1BCYP3A4TSHR
SCHEMBL6601438 0.86 FNTA (0.47) FNTAFNTBPGGT1BCYP3A4ALDH1A1
SCHEMBL6599696 0.79 FNTA (0.55) FNTAFNTBPGGT1BCYP3A4ALDH1A1
SCHEMBL6607626 0.79 FNTA (0.55) FNTAFNTBPGGT1BCYP3A4ALDH1A1
SCHEMBL6598883 0.79 FNTA (0.47) FNTAFNTBPGGT1BCYP3A4TSHR
SCHEMBL6599733 0.79 FNTA (0.48) FNTAFNTBPGGT1BCYP3A4TSHR
SCHEMBL6600663 0.76 KDM4E (0.44) FNTAFNTBPGGT1BCYP3A4TSHR
SCHEMBL6599377 0.74 FNTA (0.56) FNTAFNTBPKMPGGT1BCYP3A4
SCHEMBL4955195 0.73 FNTA (0.60) FNTAFNTBPGGT1BCYP3A4ALDH1A1

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 5 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 disclosed
US-6511978-B1 For treating cancer, restenosis, atherosclerosis or viral infections LG LIFE SCIENCES, LTD. (KR) 2003-01-28 US disclosed
EP-1169320-A4 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD (KR) 2002-10-30 EP disclosed
EP-1169320-A1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG Chem Investment, Ltd. (KR) 2002-01-09 EP disclosed
WO-2000064891-A1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD. (KR) 2000-11-02 WO disclosed