SCHEMBL7699627

SCHEMBL7699627

COCCNC(=O)c1nc(-c2ccc(C(C)(C)C)cc2)oc1-c1cccc(N(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.40
RAB9A P51151 5/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
DGAT1 O75907 2/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC6 Q9UBN7 3/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL7693979 0.91 IKBKB (0.42) IKBKBKMT2AALDH1A1MEN1MAPT
SCHEMBL7700674 0.87 RAB9A (0.42) RAB9AALDH1A1MAPTPOLBKDM4E
SCHEMBL7698726 0.85 LMNA (0.47) IKBKBRAB9AMAPTPOLB
SCHEMBL7695326 0.85 IKBKB (0.40) IKBKBRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7702181 0.85 MEN1 (0.44) IKBKBKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL7698091 0.85 HTT (0.46) NPC1ALDH1A1MAPTHPGDHTT
SCHEMBL7696445 0.84 ALDH1A1 (0.46) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL7700006 0.83 ALDH1A1 (0.44) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL7699216 0.83 IKBKB (0.41) IKBKBKMT2AALDH1A1MAPTHPGD
SCHEMBL7695157 0.82 IKBKB (0.48) IKBKBRAB9AKMT2ANPC1ALDH1A1

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