SCHEMBL5679846

SCHEMBL5679846

CC1COc2c(F)c(Cl)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.64
KMT2A Q03164 1/20 0.64
TOP2A P11388 5/20 0.63
TOP2B Q02880 5/20 0.63
ALDH1A1 P00352 3/20 0.63
HPGD P15428 3/20 0.63
HSD17B10 Q99714 2/20 0.63
ALB P02768 1/20 0.63
HRH3 Q9Y5N1 1/20 0.63
AADAT Q8N5Z0 2/20 0.62
TUBB4A P04350 1/20 0.62
POLB P06746 1/20 0.62
TUBB P07437 1/20 0.62
TUBA3C P0DPH7 1/20 0.62
TUBA1B P68363 1/20 0.62
TUBA4A P68366 1/20 0.62
TUBB4B P68371 1/20 0.62
TUBB3 Q13509 1/20 0.62
TUBB2A Q13885 1/20 0.62
TUBB8 Q3ZCM7 1/20 0.62

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
SCHEMBL2089512 0.89 KDM4E (0.72) KDM4EKMT2ATOP2ATOP2BALDH1A1
SCHEMBL2877827 0.89 KDM4E (0.72) KDM4EKMT2ATOP2ATOP2BALDH1A1
SCHEMBL29872315 0.89 KDM4E (0.72) KDM4EKMT2ATOP2ATOP2BALDH1A1
SCHEMBL2333806 0.89 KDM4E (0.72) KDM4EKMT2ATOP2ATOP2BALDH1A1
SCHEMBL29406062 0.89 KDM4E (0.72) KDM4EKMT2ATOP2ATOP2BALDH1A1
Water SCHEMBL4394501 0.88 KDM4E (0.71) KDM4EKMT2ATOP2ATOP2BALDH1A1
Water SCHEMBL4384786 0.88 KDM4E (0.71) KDM4EKMT2ATOP2ATOP2BALDH1A1
SCHEMBL11856428 0.88 TOP2A (0.60) KDM4EKMT2ATOP2ATOP2BALDH1A1
Fluoride SCHEMBL2781733 0.87 KDM4E (0.70) KDM4EKMT2ATOP2ATOP2BALDH1A1
Fluoride SCHEMBL5798595 0.87 KDM4E (0.70) KDM4EKMT2ATOP2ATOP2BALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831869-B1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 2006-02-08 EP disclosed
EP-0831845-B1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 2004-09-08 EP disclosed
EP-0831869-A4 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 1999-04-21 EP disclosed
US-5880111-A CHEMOTHERAPWUTIC AGENTS; TREATING PERIODONTAL DISEASE AND URINARY TRACT INFECTIONS FARCASIU DAN (US) 1999-03-09 US disclosed
US-5854227-A Therapeutic derivatives of diphosphonates ELIZANOR BIOPHARMACUETICALS, INC. 1998-12-29 US disclosed
EP-0831869-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS Elizanor Biopharmaceuticals, Inc. (US) 1998-04-01 EP disclosed
WO-1996040190-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
WO-1996040156-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
EP-0047005-B1 BENZOXAZINE DERIVATIVES DAIICHI SEIYAKU CO., LTD. (JP) 1984-11-14 EP disclosed
US-4382892-A Benzoxazine derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1983-05-10 US disclosed
EP-0047005-A1 Benzoxazine derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1982-03-10 EP disclosed