SCHEMBL9764494

SCHEMBL9764494

BrCCCCOCCc1ccc(N2CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.46
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.41
SLC13A5 Q86YT5 1/20 0.40
MAPT P10636 8/20 0.39
RAB9A P51151 4/20 0.39
ELOVL1 Q9BW60 1/20 0.39
NPC1 O15118 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.38
USP2 O75604 2/20 0.37

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
SCHEMBL10488261 0.94 GSK3B (0.46) GSK3BKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL10465456 0.82 HRH3 (0.47) L3MBTL3L3MBTL1
SCHEMBL9762919 0.81 HRH3 (0.46) L3MBTL3L3MBTL1
SCHEMBL9764710 0.80 SLC13A5 (0.42) KDM4EALDH1A1ALOX15HSD17B10L3MBTL3
SCHEMBL10463990 0.80 HRH3 (0.48) ALDH1A1ALOX15HPGDL3MBTL3MAPT
SCHEMBL1681747 0.80 GSK3B (0.53) GSK3BKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL9763380 0.78 HRH3 (0.50) KDM4EHPGDRAB9ANPC1MEN1
SCHEMBL9764418 0.77 SLC13A5 (0.47) KDM4EALDH1A1SLC13A5MAPTRAB9A
SCHEMBL27279231 0.77 ALDH1A1 (0.42) KDM4EALDH1A1ALOX15HSD17B10L3MBTL3
SCHEMBL9764527 0.76 SIGMAR1 (0.48) MAPTRAB9ANPC1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006556-A Dichloroaniline derivatives for the therapy or prophylaxysis of a disease associated with reversible airway obstruction GLAXO GROUP LIMITED (GB) 1991-04-09 US disclosed
US-4943591-A TREATMENT OF ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1990-07-24 US disclosed
EP-0181709-B1 DICHLOROANILINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1990-05-09 EP disclosed