SCHEMBL7572203

SCHEMBL7572203

Fc1ccc(Br)cc1Oc1cc(Br)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.45
AKR1B1 P15121 2/20 0.39
ALOX15 P16050 3/20 0.38
EPAS1 Q99814 1/20 0.38
DGAT1 O75907 1/20 0.38
ALOX12 P18054 1/20 0.37
KDM1A O60341 2/20 0.35
KDM1B Q8NB78 1/20 0.35

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
SCHEMBL5669941 0.83 SLC6A4 (0.50) TSHR
SCHEMBL9318461 0.82 SLC6A4 (0.49) TSHR
SCHEMBL29365368 0.81 KDM4E (0.42) TDP1LMNAHTT
SCHEMBL17070605 0.81 KDM4E (0.42) TDP1LMNAHTT
SCHEMBL265537 0.81 KDM4E (0.42) TDP1LMNAHTT
SCHEMBL7122355 0.80 MAPK1 (0.36) MAPK1ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL27266032 0.80 MAPK1 (0.58) MAPK1ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL7110169 0.79 KDM4E (0.41) TDP1LMNAHTT
SCHEMBL7578688 0.79 MAPK1 (0.37) MAPK1ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL17608977 0.79 MAOB (0.44)

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
CN-1244531-C Process for producing 5-bromo-2-fluorobenzoic boric acid AMERICAN CYANAMID CO (US) 2006-03-08 CN disclosed
CN-1403430-A Process for producing 5-bromo-2-fluorobenzoic boric acid AMERICAN CYANAMID CO (US) 2003-03-19 CN disclosed
EP-0812847-B1 Process for the preparation of 5-bromo-2-fluorobenzeneboronic acid BASF AG (DE) 2002-09-25 EP disclosed
CN-1087743-C Method for preparing 5-bromo-2-fluorobenzeneboronic acid AMERICAN CYANAMID CO (US) 2002-07-17 CN disclosed
US-6198008-B1 PREPARATION OF 5-BROMO-2-FLUOROBENZENEBORONIC ACID, USEFUL AS INTERMEDIATE IN PREPARATION OF FLUOROOLEFIN NON-ESTER PYRETHROID PESTICIDE, WHICH AVOIDS USE OF 2,4-DIBROMOFLUOROBENZENE AMERICAN CYANAMID COMPANY 2001-03-06 US disclosed
US-5962742-A Process for the preparation of 5-bromo-2 fluorobenzeneboronic acid AMERICAN CYANAMID COMPANY (US) 1999-10-05 US disclosed
CN-1168887-A Method for preparing 5-bromo-2-fluorobenzeneboronic acid AMERICAN CYANAMID CO (US) 1997-12-31 CN disclosed
EP-0812847-A1 Process for the preparation of 5-bromo-2-fluorobenzeneboronic acid AMERICAN CYANAMID COMPANY (US) 1997-12-17 EP disclosed