SCHEMBL7701807

SCHEMBL7701807

COc1ccc(N(C)C(=O)c2nc(-c3ccc(C(C)(C)C)cc3)oc2-c2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.43
ACHE P22303 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
RORC P51449 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ADRB2 P07550 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
TP53 P04637 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
JAK1 P23458 1/20 0.38
MPO P05164 1/20 0.38

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
SCHEMBL7699119 0.90 KDM4E (0.50) ACHEALDH1A1HTTKDM4EHPGD
SCHEMBL7695082 0.87 MAPT (0.50) IKBKBALDH1A1KDM4EADRB2HPGD
SCHEMBL7704986 0.82 HSD17B2 (0.42) IKBKBALDH1A1HTTKDM4EHPGD
SCHEMBL7699894 0.81 IKBKB (0.54) IKBKBALDH1A1KDM4EADRB2HPGD
SCHEMBL7698844 0.80 KDM4E (0.57) ALDH1A1HTTKDM4EHPGDKMT2A
SCHEMBL7704952 0.80 SMN1; SMN2 (0.44) IKBKBALDH1A1HTTKDM4EADRB2
SCHEMBL7699146 0.79 MAPT (0.57) ALDH1A1HTTKDM4EHPGDKMT2A
SCHEMBL7701519 0.78 KDM4E (0.52) ALDH1A1HTTKDM4EHPGDKMT2A
SCHEMBL7701939 0.77 HSP90AA1 (0.47) ALDH1A1HTTKDM4EADRB2HPGD
SCHEMBL7703225 0.77 IKBKB (0.46) IKBKBALDH1A1HTTKDM4EHPGD

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