SCHEMBL7698238

SCHEMBL7698238

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
MEN1 O00255 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
HPGD P15428 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 8/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.47
RXFP1 Q9HBX9 3/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.44
DGAT1 O75907 1/20 0.44
NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL7695765 0.93 ALDH1A1 (0.50) ALDH1A1NPSR1MEN1TSHRMAPK1
SCHEMBL7699977 0.91 MAPT (0.49) ALDH1A1NPSR1MEN1TSHRMAPK1
SCHEMBL7699503 0.88 ALDH1A1 (0.56) ALDH1A1NPSR1MEN1TSHRMAPK1
SCHEMBL7697100 0.85 MAPT (0.47) ALDH1A1MEN1MAPK1KMT2AHPGD
SCHEMBL7695493 0.85 NR1H4 (0.44) ALDH1A1NPSR1MEN1TSHRMAPK1
SCHEMBL7694095 0.82 SMN1; SMN2 (0.49) ALDH1A1MEN1MAPK1KMT2AKDM4E
SCHEMBL7696428 0.81 STAT3 (0.55) ALDH1A1MEN1TSHRKMT2AHPGD
SCHEMBL7695519 0.80 MAPT (0.61) ALDH1A1NPSR1MEN1TSHRMAPK1
SCHEMBL7699812 0.79 MEN1 (0.56) ALDH1A1NPSR1MEN1TSHRMAPK1
SCHEMBL7698685 0.78 DGAT1 (0.50) ALDH1A1MEN1KMT2AKDM4EMAPT

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