SCHEMBL9574258

SCHEMBL9574258

BrCCCCCCCCOCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH3 Q9Y5N1 2/20 0.42
IDO1 P14902 1/20 0.42
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL7286496 1.00 TDP1 (0.50) TDP1L3MBTL1MEN1KMT2AHRH3
SCHEMBL9262163 1.00 TDP1 (0.50) TDP1L3MBTL1MEN1KMT2AHRH3
SCHEMBL3582663 1.00 TDP1 (0.50) TDP1L3MBTL1MEN1KMT2AHRH3
SCHEMBL9260474 0.98 TDP1 (0.52) TDP1L3MBTL1MEN1KMT2AHRH3
SCHEMBL6942905 0.92 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AHRH3
SCHEMBL454150 0.92 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AHRH3
SCHEMBL9262777 0.92 IDO1 (0.52) TDP1L3MBTL1MEN1KMT2AHRH3
SCHEMBL7621746 0.92 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AHRH3
SCHEMBL9257077 0.92 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AHRH3
SCHEMBL9257411 0.92 IDO1 (0.52) TDP1L3MBTL1MEN1KMT2AHRH3

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
US-5243076-A Adrenergic stimulant intermediates GLAXO GROUP LTD. 1993-09-07 US disclosed
US-5225445-A Respiratory system disorders GLAXO GROUP LTD. 1993-07-06 US disclosed
US-5126375-A Asthma, chronic bronchitis GLAXO GROUP LTD. (GB) 1992-06-30 US disclosed
US-5091422-A Treating inflammatory or allergic skin disease, lowering gastric acidity GLAXO GROUP LIMITED (GB) 1992-02-25 US disclosed
US-4992474-A Adrenergic stimulants GLAXO GROUP LTD. (GB) 1991-02-12 US disclosed