SCHEMBL7701239

SCHEMBL7701239

COc1ccc(OC)c(NC(=O)c2nc(-c3ccccc3-c3ccccc3)oc2-c2ccc(N(C)C)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 3/20 0.60
LMNA P02545 2/20 0.60
RXFP1 Q9HBX9 1/20 0.46
NPSR1 Q6W5P4 3/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
ATR Q13535 1/20 0.43
POLB P06746 2/20 0.43
TP53 P04637 2/20 0.43
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 1/20 0.42
PDK1 Q15118 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL7698104 0.91 MAPT (0.51) MAPTALDH1A1KDM4ELMNANPSR1
SCHEMBL7699719 0.90 MAPT (0.46) MAPTALDH1A1KDM4ELMNANPSR1
SCHEMBL7701479 0.87 HSP90AA1 (0.54) MAPTALDH1A1KDM4ELMNARXFP1
SCHEMBL7698114 0.84 MAPT (0.48) MAPTALDH1A1KDM4ELMNARXFP1
SCHEMBL7699604 0.81 MAPT (0.47) MAPTALDH1A1KDM4ELMNARXFP1
SCHEMBL7695132 0.80 MAPT (0.49) MAPTALDH1A1KDM4ELMNARXFP1
SCHEMBL7701387 0.80 MAPT (0.69) MAPTALDH1A1KDM4ELMNARXFP1
SCHEMBL7695678 0.80 CHRNB2 (0.49) MAPTALDH1A1KDM4ELMNATSHR
SCHEMBL7694375 0.80 HSD17B10 (0.40) MAPTALDH1A1KDM4ERXFP1NPSR1
SCHEMBL7699090 0.80 MAPT (0.40) MAPTALDH1A1KDM4ELMNARXFP1

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
WO-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed