SCHEMBL1832013

SCHEMBL1832013

COc1ccc(CC=O)c(O)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.46
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 5/20 0.38
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38
AOX1 Q06278 1/20 0.38
ELANE P08246 1/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
APLNR P35414 1/20 0.34
TRIM24 O15164 1/20 0.34

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
SCHEMBL24542205 0.87 ERN1 (0.50) ERN1MEN1KMT2AMAPTCYP1A2
SCHEMBL3631682 0.84 ERN1 (0.46) ERN1MEN1KMT2AMAPTCYP1A2
SCHEMBL21822829 0.80 ERN1 (0.39) ERN1MEN1KMT2AMAPTCYP1A2
SCHEMBL9519002 0.79 PDE4A (0.42) ERN1MEN1KMT2AMAPTTSHR
SCHEMBL24541830 0.78 CA1 (0.40) ERN1MEN1KMT2ACYP1A2TSHR
SCHEMBL9518445 0.77 IDO1 (0.41) ERN1MEN1KMT2AMAPTTSHR
SCHEMBL1829471 0.77 ERN1 (0.34) ERN1MEN1KMT2AMAPTCYP1A2
SCHEMBL2477378 0.76 TLR2 (0.56) ERN1MAPTHSD17B10ALDH1A1TLR2
SCHEMBL11199853 0.74 MCL1 (0.42) ERN1MEN1KMT2AMAPTCYP1A2
SCHEMBL5069879 0.74 ERN1 (0.58) ERN1ALDH1A1TLR2TLR1TLR6

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-2318375-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY (US) 2011-05-11 EP disclosed
WO-2010009062-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY (US) 2010-01-21 WO disclosed