SCHEMBL1851702

SCHEMBL1851702

B1CCOO1.FC(F)(F)c1cccc(OCc2cc3cccc(Br)c3s2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
POLB P06746 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.36
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
FFAR1 O14842 1/20 0.34
NR4A2 P43354 1/20 0.34
MAOB P27338 1/20 0.33
ADAM17 P78536 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1848413 0.88 LMNA (0.49) LMNAPKMHSD17B10L3MBTL1POLB
SCHEMBL1855279 0.83 LMNA (0.45) LMNAPKMHSD17B10L3MBTL1POLB
SCHEMBL1849577 0.70 GPR52 (0.51)
SCHEMBL3209995 0.69 LMNA (0.42) LMNAPKMHSD17B10L3MBTL1POLB
SCHEMBL1855052 0.69 TAAR1 (0.47)
SCHEMBL1850062 0.67 MRGPRX4 (0.57) MRGPRX4NR4A2MAOB
SCHEMBL3217505 0.67 MAOB (0.52) LMNAPKMHSD17B10MRGPRX4NR4A2
SCHEMBL1850678 0.67 GPR52 (0.56) LMNAPKMHSD17B10MRGPRX4NR4A2
SCHEMBL1854703 0.66 MAPT (0.45) L3MBTL1MRGPRX4KMT2AMAOB
SCHEMBL1850131 0.65 MRGPRX4 (0.49) MRGPRX4NR4A2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed