SCHEMBL9310253

SCHEMBL9310253

N#Cc1ccccc1-c1oc(Br)c2cc(CBr)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.35
GSK3B P49841 2/20 0.32
GSK3A P49840 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ESR2 Q92731 1/20 0.32
AXL P30530 1/20 0.31
FLT3 P36888 1/20 0.31
MERTK Q12866 1/20 0.31
MYC P01106 1/20 0.31
WDR5 P61964 1/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL9311082 0.95 PTGES (0.35) PTGESGSK3BGSK3ANPC1RAB9A
SCHEMBL27370069 0.91 PTGES (0.34) PTGESGSK3BGSK3ANPC1RAB9A
SCHEMBL9480651 0.88 PTGES (0.34) PTGESGSK3BGSK3ANPC1RAB9A
SCHEMBL9316521 0.84 FGFR3 (0.34) GSK3BGSK3ANPC1RAB9AMYC
SCHEMBL9311398 0.84 PTGES (0.32) PTGESGSK3BGSK3ANPC1RAB9A
SCHEMBL7441078 0.83 KDM4E (0.34) ALDH1A1KMT2A
SCHEMBL9311075 0.83 MAOB (0.32) PTGESGSK3BGSK3ANPC1RAB9A
SCHEMBL9482101 0.82 KMT2A (0.42) ALDH1A1TSHRMAPK1KMT2A
SCHEMBL9309638 0.81 PTGES (0.36) PTGESNPC1RAB9AESR2ALDH1A1
SCHEMBL9311393 0.81 SLC22A12 (0.31) MYCWDR5PPARG

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-5374646-A Treatment or prophylasix of hypertension and diseases associated with cognitive disorders GLAXO GROUP LIMITED (GB) 1994-12-20 US disclosed
EP-0559724-A1 BENZOFURAN AND BENZTHIOPHENE DERIVATIVES GLAXO GROUP LIMITED (GB) 1993-09-15 EP disclosed
WO-1992009600-A1 BENZOFURAN AND BENZTHIOPHENE DERIVATIVES GLAXO GROUP LIMITED (GB) 1992-06-11 WO disclosed
EP-0434249-A2 Benzofuran derivatives GLAXO GROUP LIMITED (GB) 1991-06-26 EP disclosed