SCHEMBL7704986

SCHEMBL7704986

COc1ccc(N(C)C(=O)c2nc(-c3ccc(C(C)(C)C)cc3)oc2-c2cccc(N(C)C)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 5/20 0.42
HSD17B1 P14061 4/20 0.42
IKBKB O14920 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DGAT1 O75907 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
SCHEMBL7693804 0.91 IKBKB (0.45) HSD17B2HSD17B1IKBKBALDH1A1MAPT
SCHEMBL7705474 0.89 IKBKB (0.42) IKBKBALDH1A1MAPTKDM4EHPGD
SCHEMBL7701939 0.86 HSP90AA1 (0.47) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL7695157 0.84 IKBKB (0.48) IKBKBALDH1A1MAPTKDM4EHPGD
SCHEMBL7701807 0.82 IKBKB (0.43) IKBKBALDH1A1MAPTKDM4EHPGD
SCHEMBL7694123 0.79 KDM4E (0.53) IKBKBALDH1A1MAPTNPSR1KDM4E
SCHEMBL7703225 0.79 IKBKB (0.46) IKBKBALDH1A1MAPTKDM4EHPGD
SCHEMBL7699627 0.78 IKBKB (0.40) IKBKBALDH1A1MAPTKDM4EHPGD
SCHEMBL7700674 0.78 RAB9A (0.42) ALDH1A1MAPTKDM4ECYP3A4CYP2C9
SCHEMBL7696153 0.77 ALDH1A1 (0.47) IKBKBALDH1A1MAPTKDM4EHPGD

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