SCHEMBL9418420

SCHEMBL9418420

COc1c(O)cc(Br)cc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.64
▸ TPMT P51580 4/20 0.48
▸ HSD17B10 Q99714 1/20 0.45
▸ ALOX15 P16050 2/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ MAPT P10636 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ APP P05067 1/20 0.40
▸ ERN1 O75460 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ APEX1 P27695 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ TSHR P16473 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
SCHEMBL9695064 0.88 TPMT (0.58) TDP1TPMTHSD17B10ALOX15ALOX12
SCHEMBL129971 0.86 ALOX15 (0.56) TDP1TPMTALOX15ALOX12MAPT
SCHEMBL16904136 0.86 TDP1 (0.48) TDP1TPMTHSD17B10ALOX15ALOX12
SCHEMBL30927163 0.86 ALOX15 (0.56) TDP1TPMTALOX15ALOX12MAPT
SCHEMBL21823580 0.84 TPMT (0.55) TDP1TPMTHSD17B10ALOX15ALOX12
SCHEMBL16596078 0.84 TDP1 (0.46) TDP1TPMTHSD17B10ALOX15ALOX12
SCHEMBL10355393 0.80 HSD17B10 (0.71) TDP1TPMTHSD17B10MAPTKDM4E
SCHEMBL14385352 0.78 ALOX15 (0.62) TDP1TPMTHSD17B10ALOX15ALOX12
Iretol SCHEMBL3190103 0.78 TDP1 (1.00) TDP1TPMTMAPTCYP3A4CA2
SCHEMBL2086471 0.77 TPMT (0.62) TDP1TPMTHSD17B10MAPTERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0471941-A2 An improved process for the preparation of 5-bromo-2-methoxyresorcinol AMERICAN CYANAMID COMPANY (US) 1992-02-26 — — EP claimed
JP-6321839-A — — None — — JP disclosed
WO-2013026942-A1 TUBULIN BINDING AGENTS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2013-02-28 — — WO disclosed
WO-2013026942-A1 TUBULIN BINDING AGENTS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2013-02-28 — — WO disclosed
JP-H06321839-A IMPROVED PROCESS FOR PREPARATION OF 5-BROMO-2-METHOXYRESORCINOL AMERICAN CYANAMID CO 1994-11-22 — — JP disclosed
EP-0471941-A2 An improved process for the preparation of 5-bromo-2-methoxyresorcinol AMERICAN CYANAMID COMPANY (US) 1992-02-26 — — EP disclosed
EP-0471941-A2 An improved process for the preparation of 5-bromo-2-methoxyresorcinol AMERICAN CYANAMID COMPANY (US) 1992-02-26 — — EP disclosed
EP-0471941-A2 An improved process for the preparation of 5-bromo-2-methoxyresorcinol AMERICAN CYANAMID COMPANY (US) 1992-02-26 — — EP disclosed
Send feedback