SCHEMBL9574161

SCHEMBL9574161

BrCCOCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HRH3 Q9Y5N1 5/20 0.53
LMNA P02545 1/20 0.47
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL3438745 0.92 MEN1 (0.59) IDO1MEN1KMT2ATDP1HRH3
SCHEMBL10390473 0.90 MEN1 (0.57) IDO1MEN1KMT2ATDP1HRH3
SCHEMBL7099472 0.90 IDO1 (0.53) IDO1MEN1KMT2ATDP1HRH3
SCHEMBL196951 0.89 IDO1 (0.67) IDO1MEN1KMT2ATDP1HRH3
SCHEMBL9574249 0.88 IDO1 (0.52) IDO1MEN1KMT2ATDP1HRH3
SCHEMBL9262777 0.88 IDO1 (0.52) IDO1MEN1KMT2ATDP1HRH3
SCHEMBL9257411 0.88 IDO1 (0.52) IDO1MEN1KMT2ATDP1HRH3
SCHEMBL1179386 0.87 TDP1 (0.58) IDO1MEN1KMT2ATDP1HRH3
SCHEMBL9258414 0.86 TDP1 (0.52) IDO1MEN1KMT2ATDP1HRH3
SCHEMBL3438751 0.85 IDO1 (0.57) IDO1MEN1KMT2ATDP1HRH3

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 4 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-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