SCHEMBL5748574

SCHEMBL5748574

COc1cc(OC)c(-c2cc(CBr)nc(C(=O)O)c2)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.41
LMNA P02545 2/20 0.41
CNR2 P34972 1/20 0.40
GPR35 Q9HC97 1/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
P4HTM Q9NXG6 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL5738697 0.88 LMNA (0.42) MCL1LMNACNR2GPR35ALOX15
SCHEMBL10387678 0.86 LMNA (0.49) MCL1LMNACNR2GPR35ALOX15
SCHEMBL842355 0.85 DPP4 (0.42) CNR2ALDH1A1KDM4EHPGDMAPT
SCHEMBL840378 0.83 KMT2A (0.42) LMNAGPR35ALOX15ALDH1A1KDM4E
SCHEMBL842312 0.78 MTNR1A (0.37)
SCHEMBL862402 0.77 MEN1 (0.41) LMNAALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL5129451 0.76 KDM4E (0.47) MCL1LMNACNR2GPR35ALOX15
SCHEMBL5131193 0.74 CNR2 (0.49) MCL1LMNACNR2GPR35ALOX15
SCHEMBL842262 0.73 GAA (0.41) CNR2ALDH1A1KDM4EHPGDMAPT
SCHEMBL862408 0.73 BCHE (0.38) LMNAALOX15ALDH1A1KDM4EL3MBTL1

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-1694672-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2006-08-30 EP disclosed
WO-2005058877-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2005-06-30 WO disclosed