SCHEMBL30106359

SCHEMBL30106359

CCNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.51
IKBKB O14920 1/20 0.48
TRPV1 Q8NER1 6/20 0.48
HDAC6 Q9UBN7 2/20 0.45
HDAC4 P56524 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
KIF11 P52732 1/20 0.41
DGAT1 O75907 1/20 0.41
PTPN1 P18031 1/20 0.40
PPARD Q03181 2/20 0.39
UTRN P46939 1/20 0.39
PPARG P37231 1/20 0.39
SORT1 Q99523 1/20 0.39

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
SCHEMBL27189116 0.93 IKBKB (0.48) GSK3BIKBKBTRPV1HDAC6HDAC4
SCHEMBL27189073 0.92 DGAT1 (0.49) GSK3BIKBKBTRPV1HDAC6HDAC4
SCHEMBL30106348 0.91 GSK3B (0.49) GSK3BIKBKBTRPV1HDAC6SMN1; SMN2
SCHEMBL30106364 0.89 NPC1 (0.50) GSK3BIKBKBTRPV1HDAC6HDAC4
SCHEMBL29158713 0.89 ABCG2 (0.48) GSK3BIKBKBTRPV1SMN1; SMN2HSP90AA1
SCHEMBL27189103 0.89 IKBKB (0.46) GSK3BIKBKBTRPV1HDAC6HDAC4
SCHEMBL29158717 0.88 IKBKB (0.46) GSK3BIKBKBTRPV1HDAC6HDAC4
SCHEMBL27189071 0.88 IKBKB (0.46) GSK3BIKBKBTRPV1HDAC6HDAC4
SCHEMBL30740883 0.88 IKBKB (0.46) GSK3BIKBKBTRPV1HDAC6HDAC4
SCHEMBL30106290 0.86 CASP6 (0.45) GSK3BIKBKBTRPV1HDAC6HDAC4

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-2022255764-A1 NOVEL OXAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME FOR PREVENTION OR TREATMENT OF ALLERGIC DISEASE 주식회사 에즈큐리스 2022-12-08 WO disclosed