SCHEMBL30106334

SCHEMBL30106334

CCNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1ccc(OC)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
IKBKB O14920 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PRKCZ Q05513 1/20 0.44
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
HSP90AB1 P08238 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
PTGS2 P35354 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
UTRN P46939 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAF1 P04049 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL29158640 0.91 HSP90AB1 (0.43) MAPTIKBKBKDM4EHSP90AB1TRPV1
SCHEMBL30106330 0.87 KDM4E (0.44) IKBKBKDM4EHSP90AB1TRPV1SMN1; SMN2
SCHEMBL29158713 0.87 ABCG2 (0.48) MAPTIKBKBKDM4EHSP90AB1TRPV1
SCHEMBL27189106 0.86 SMN1; SMN2 (0.54) IKBKBKDM4EHSP90AB1TRPV1SMN1; SMN2
SCHEMBL30740883 0.85 IKBKB (0.46) IKBKBHSP90AB1TRPV1UTRNHDAC3
SCHEMBL29158717 0.85 IKBKB (0.46) IKBKBHSP90AB1TRPV1UTRNHDAC3
SCHEMBL27189063 0.85 RAB9A (0.45) MAPTIKBKBKDM4ETRPV1SMN1; SMN2
SCHEMBL27189103 0.84 IKBKB (0.46) IKBKBHSP90AB1TRPV1UTRNHDAC3
SCHEMBL30106359 0.84 GSK3B (0.51) IKBKBHSP90AB1TRPV1SMN1; SMN2UTRN
SCHEMBL27189116 0.84 IKBKB (0.48) IKBKBHSP90AB1TRPV1UTRNHDAC3

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