SCHEMBL28035504

SCHEMBL28035504

Cc1ccc(OCc2ccccc2)c(C(=O)OBr)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.55
FOLH1 Q04609 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
MRGPRX4 Q96LA9 3/20 0.51
PTGER1 P34995 3/20 0.51
PTGER4 P35408 3/20 0.51
PTGER3 P43115 3/20 0.51
PTGER2 P43116 3/20 0.51
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
FFAR4 Q5NUL3 1/20 0.48
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL1647381 0.88 FOLH1 (0.67) LRRK2FOLH1L3MBTL1KDM4EALDH1A1
SCHEMBL1646770 0.87 LRRK2 (0.56) LRRK2FOLH1L3MBTL1KDM4EALDH1A1
SCHEMBL11565369 0.87 LRRK2 (0.59) LRRK2FOLH1L3MBTL1KDM4EALDH1A1
SCHEMBL6449105 0.84 MAPT (0.63) LRRK2FOLH1L3MBTL1MRGPRX4PTGER1
SCHEMBL29707535 0.84 MAPT (0.63) LRRK2FOLH1L3MBTL1MRGPRX4PTGER1
SCHEMBL38657580 0.83 LRRK2 (0.57) LRRK2FOLH1L3MBTL1KDM4EALDH1A1
SCHEMBL21327456 0.83 LRRK2 (0.57) LRRK2FOLH1L3MBTL1KDM4EALDH1A1
SCHEMBL5171831 0.82 MRGPRX4 (0.59) LRRK2FOLH1MRGPRX4PTGER1PTGER4
SCHEMBL5268600 0.78 LRRK2 (0.53) LRRK2FOLH1L3MBTL1KDM4EALDH1A1
SCHEMBL38657361 0.78 LRRK2 (0.53) LRRK2FOLH1L3MBTL1KDM4EALDH1A1

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
CN-104918922-B TRIAZOLONE COMPOUNDS AND USES THEREOF 因森普深2公司 2017-04-26 CN disclosed
CN-104918922-A TRIAZOLONE COMPOUNDS AND USES THEREOF INCEPTION 2 INC 2015-09-16 CN disclosed