SCHEMBL6591920

SCHEMBL6591920

O=C(O)c1nc2c(OCc3ccccc3)c(Br)ccc2c(O)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTGER1 P34995 1/20 0.38
DHODH Q02127 2/20 0.37
MCL1 Q07820 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
KCNA2 P16389 1/20 0.37
KCNA5 P22460 1/20 0.37
KCNA1 Q09470 1/20 0.37
APP P05067 1/20 0.36
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
RNASEH1 O60930 1/20 0.36

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
SCHEMBL6080631 0.89 LMNA (0.47) THRATHRBKDM4EALDH1A1MEN1
SCHEMBL6080121 0.88 PTPN1 (0.41) THRATHRBKDM4EALDH1A1MEN1
SCHEMBL6081248 0.83 THRA (0.41) THRATHRBKDM4EALDH1A1MEN1
SCHEMBL6079898 0.82 THRA (0.41) THRATHRBKDM4EALDH1A1MEN1
SCHEMBL6079972 0.82 MRGPRX4 (0.46) KDM4EALDH1A1MEN1KMT2APTGER1
SCHEMBL6080634 0.80 THRB (0.46) THRATHRBKDM4EALDH1A1MEN1
SCHEMBL6079629 0.80 THRA (0.45) THRATHRBKDM4EALDH1A1MEN1
SCHEMBL6596585 0.77 THRA (0.45) THRATHRBMEN1KMT2APTGER1
SCHEMBL6080441 0.76 KDM4E (0.38) KDM4EALDH1A1MEN1KMT2ADHODH
SCHEMBL6081012 0.75 THRA (0.43) THRATHRBMEN1KMT2APTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed