SCHEMBL28928859

SCHEMBL28928859

O=C(CNC(=O)c1ccc[nH]1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ TSHR P16473 1/20 0.47

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
SCHEMBL28928830 0.86 MEN1 (0.64) POLBSMN1; SMN2GAARAB9AKDM4E
SCHEMBL27855054 0.86 HDAC3 (0.48) POLBSMN1; SMN2RAB9AKDM4ELMNA
SCHEMBL28928823 0.86 LMNA (0.65) POLBSMN1; SMN2RAB9AKDM4ELMNA
SCHEMBL3242636 0.83 KDM4E (0.55) POLBKDM4ELMNAHDAC3HDAC4
SCHEMBL28928841 0.83 CYP1A2 (0.48) POLBSMN1; SMN2RAB9AKDM4ELMNA
SCHEMBL28929418 0.83 NPC1 (0.59) SMN1; SMN2GAARAB9AKDM4EALDH1A1
SCHEMBL28053617 0.80 SMN1; SMN2 (0.63) POLBSMN1; SMN2GAARAB9AKDM4E
SCHEMBL3231208 0.79 ALDH1A1 (0.68) POLBSMN1; SMN2GAARAB9AKDM4E
SCHEMBL28928832 0.79 NPC1 (0.45) POLBSMN1; SMN2GAARAB9AKDM4E
SCHEMBL1171646 0.78 KDM4E (0.54) POLBKDM4ELMNAHDAC3HDAC4

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
CN-115583942-A 2-substituted 5-phenyl-oxazole derivative, preparation method thereof and application thereof as MNK (MNK) inhibitor 中国海洋大学 2023-01-10 — — CN disclosed
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