SCHEMBL9851952

SCHEMBL9851952

O=C(O)c1nccc(CBr)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.46
ASPH Q12797 11/20 0.46
KDM8 Q8N371 11/20 0.46
MAPT P10636 4/20 0.43
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 1/20 0.33
MYC P01106 1/20 0.33
EGLN2 Q96KS0 2/20 0.33
FTO Q9C0B1 2/20 0.33
KDM6B O15054 1/20 0.32
TET3 O43151 1/20 0.32

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
SCHEMBL10694897 0.83 KDM4E (0.47) KDM4EASPHKDM8MAPTCYP1A2
SCHEMBL8645026 0.81 KDM4E (0.46) KDM4EASPHKDM8MAPTCYP1A2
SCHEMBL21222761 0.81 KDM4E (0.46) KDM4EASPHKDM8MAPTCYP1A2
SCHEMBL517935 0.79 KDM4E (0.55) KDM4EASPHKDM8MAPTCYP1A2
SCHEMBL480290 0.77 KDM4E (0.40) KDM4EASPHKDM8MAPTCYP1A2
SCHEMBL28589292 0.77 KDM4E (0.53) KDM4EASPHKDM8MAPTCYP1A2
SCHEMBL19694979 0.76 KDM4E (0.68) KDM4EASPHKDM8MAPTCYP1A2
SCHEMBL29525861 0.74 KDM4E (0.53) KDM4EASPHKDM8MAPTCYP1A2
SCHEMBL26598072 0.73 KDM4E (0.41) KDM4EASPHKDM8MAPTCYP1A2
SCHEMBL1002512 0.72 KDM4E (0.52) KDM4EASPHKDM8MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434965-A2 Alkyl esters of 5-heterocyclic-pyridine-2,3-dicarboxylic acids and 5-heterocyclic 2-(2-imidazolin-2-yl) pyridines and methods for preparation thereof AMERICAN CYANAMID COMPANY (US) 1991-07-03 EP disclosed