SCHEMBL7699503

SCHEMBL7699503

CCOc1cccc(NC(=O)c2nc(-c3ccccc3)oc2-c2ccc(NC(C)=O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
NPSR1 Q6W5P4 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
KDM4E B2RXH2 4/20 0.56
GAA P10253 2/20 0.56
HPGD P15428 2/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 7/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.47
PTGIR P43119 1/20 0.47
POLB P06746 1/20 0.47
CASP3 P42574 1/20 0.47

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
SCHEMBL7695519 0.91 MAPT (0.61) ALDH1A1NPSR1MEN1KMT2ATSHR
SCHEMBL7699812 0.91 MEN1 (0.56) ALDH1A1NPSR1MEN1KMT2ATSHR
SCHEMBL7698238 0.88 ALDH1A1 (0.55) ALDH1A1NPSR1MEN1KMT2ATSHR
SCHEMBL7703233 0.86 KDM4E (0.73) ALDH1A1NPSR1MEN1KMT2ATSHR
SCHEMBL7698294 0.85 MEN1 (0.52) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL7694070 0.84 KDM4E (0.73) ALDH1A1NPSR1MEN1KMT2ATSHR
SCHEMBL7698000 0.82 KDM4E (0.65) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL7699798 0.82 GAA (0.59) ALDH1A1NPSR1MEN1KMT2ATSHR
SCHEMBL7695765 0.81 ALDH1A1 (0.50) ALDH1A1NPSR1MEN1KMT2ATSHR
SCHEMBL7703322 0.81 KDM4E (0.72) ALDH1A1NPSR1MEN1KMT2AKDM4E

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