SCHEMBL28441007

SCHEMBL28441007

COC(=O)/C=C/c1nc2cccc(C)c2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
FAAH O00519 1/20 0.40
CETP P11597 1/20 0.40
ELANE P08246 2/20 0.40
PDE4B Q07343 1/20 0.39
CA12 O43570 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
SCHEMBL29923288 1.00 L3MBTL1 (0.46) L3MBTL1KMT2AKDM4ESMN1; SMN2HDAC3
SCHEMBL28959773 0.78 HDAC3 (0.67) L3MBTL1KMT2AKDM4ESMN1; SMN2HDAC3
SCHEMBL28436050 0.78 HDAC3 (0.67) L3MBTL1KMT2AKDM4ESMN1; SMN2HDAC3
SCHEMBL21780802 0.77 FAAH (0.41) FAAHCETPELANEALDH1A1MCL1
SCHEMBL2059371 0.72 CA12 (0.50) L3MBTL1KMT2AKDM4ESMN1; SMN2CA12
SCHEMBL2059373 0.72 CA12 (0.50) L3MBTL1KMT2AKDM4ESMN1; SMN2CA12
SCHEMBL9682211 0.69 KMT2A (0.54) L3MBTL1KMT2AKDM4ESMN1; SMN2PDE4B
SCHEMBL9682795 0.69 KMT2A (0.54) L3MBTL1KMT2AKDM4ESMN1; SMN2PDE4B
SCHEMBL28429537 0.69 SNCA (0.52) L3MBTL1KMT2AKDM4ESMN1; SMN2HDAC3
SCHEMBL28430090 0.69 HDAC6 (0.44) L3MBTL1KMT2AKDM4ESMN1; SMN2HDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111349051-B Benzoxazole-2-acrylate and synthetic method thereof 上海大学 2022-11-08 CN disclosed
CN-111349051-A Benzoxazole-2-acrylate and synthetic method thereof 上海大学 2020-06-30 CN disclosed