SCHEMBL7694358

SCHEMBL7694358

CNc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)NCc2c(OC)cccc2OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.41
IKBKB O14920 2/20 0.40
ROCK2 O75116 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ADRB2 P07550 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ROCK1 Q13464 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL7693765 0.91 EPHX2 (0.44) RXFP1IKBKBROCK2MAPTPOLB
SCHEMBL7700263 0.90 TP53 (0.47) MAPTPOLBTP53HPGDKDM4E
SCHEMBL7699810 0.79 EPHX2 (0.45) IKBKBROCK2
SCHEMBL7695824 0.79 ALDH1A1 (0.45) RXFP1MAPTTP53HPGDKDM4E
SCHEMBL7693745 0.77 IKBKB (0.53) RXFP1IKBKBMAPTTP53HPGD
SCHEMBL7701315 0.77 MTNR1A (0.45) RXFP1IKBKBMAPTTP53HPGD
SCHEMBL7698091 0.76 HTT (0.46) MAPTPOLBTP53HPGDKDM4E
SCHEMBL7694392 0.76 TARBP2 (0.51) RXFP1IKBKBMAPTTP53HPGD
SCHEMBL7699576 0.75 KDM4E (0.48) RXFP1IKBKBMAPTPOLBTP53
SCHEMBL7700875 0.75 MEN1 (0.56) MAPTPOLBTP53KDM4EALDH1A1

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